 Entering Gaussian System, Link 0=g16
 Input=03_trispirononane_STD_B3LYPDBJ-augccpVDZr.in
 Output=03_trispirononane_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/03_trispirononane_STD/Gau-15190.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/03_trispirononane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15194.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=03_trispirononane_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "03_trispirononane_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.850997000000      1.132902000000     -1.105650000000
  C                                                 1.349583000000      0.074712000000     -0.171197000000
  C                                                 0.000033000000      0.589081000000     -0.000049000000
  C                                                 2.545757000000     -0.163361000000      0.661658000000
  C                                                 2.010439000000     -1.243659000000     -0.273932000000
  C                                                -0.850800000000      1.132550000000      1.105829000000
  C                                                -1.349503000000      0.074646000000      0.171128000000
  C                                                -2.010462000000     -1.243726000000      0.273569000000
  C                                                -2.545996000000     -0.163032000000     -0.661407000000
  H                                                 1.247956000000      2.136318000000     -0.998967000000
  H                                                 0.606749000000      0.844078000000     -2.122271000000
  H                                                 2.409697000000     -0.307621000000      1.726593000000
  H                                                 3.473352000000      0.323369000000      0.386964000000
  H                                                 1.522142000000     -2.099447000000      0.175269000000
  H                                                 2.586225000000     -1.466945000000     -1.163587000000
  H                                                -0.606306000000      0.843541000000      2.122338000000
  H                                                -1.247840000000      2.135964000000      0.999440000000
  H                                                -1.522526000000     -2.099396000000     -0.176207000000
  H                                                -2.585918000000     -1.467289000000      1.163367000000
  H                                                -2.410375000000     -0.306923000000     -1.726447000000
  H                                                -3.473450000000      0.323675000000     -0.386186000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1
 NAtoms=     21 NQM=       21 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.497183   0.000000
     3  C    1.497409   1.454356   0.000000
     4  C    2.770539   1.476875   2.735825   0.000000
     5  C    2.772021   1.478306   2.734169   1.526086   0.000000
     6  C    2.790475   2.755268   1.497412   3.662414   3.966963
     7  C    2.755407   2.720708   1.454370   3.933232   3.636649
     8  C    3.967185   3.636757   2.734253   4.698610   4.058005
     9  C    3.662835   3.933493   2.735933   5.260841   4.698829
    10  H    1.084344   2.223904   2.224655   3.119373   3.539958
    11  H    1.084709   2.224953   2.221926   3.539060   3.121754
    12  H    3.539245   2.207176   3.097071   1.083240   2.244476
    13  H    3.124098   2.209925   3.504900   1.082957   2.243318
    14  H    3.541083   2.208344   3.094468   2.243388   1.082861
    15  H    3.126272   2.211522   3.502778   2.243321   1.082992
    16  H    3.553501   3.110772   2.221919   3.617035   4.116536
    17  H    3.137300   3.516498   2.224638   4.448862   4.864125
    18  H    4.116458   3.602191   3.094693   4.582704   3.636437
    19  H    4.870505   4.432493   3.502761   5.318461   4.821031
    20  H    3.618706   4.086775   3.097312   5.503354   4.746669
    21  H    4.457950   4.834237   3.504943   6.129114   5.704575
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.497175   0.000000
     8  C    2.772032   1.478332   0.000000
     9  C    2.770441   1.476889   1.526066   0.000000
    10  H    3.137275   3.516590   4.864292   4.449160   0.000000
    11  H    3.553631   3.111049   4.116888   3.617761   1.828344
    12  H    3.618049   4.086219   4.746091   5.502939   3.840724
    13  H    4.457559   4.834085   5.704460   6.129292   3.187472
    14  H    4.116139   3.601811   3.636099   4.582519   4.404056
    15  H    4.870397   4.432598   4.821284   5.319029   3.847281
    16  H    1.084709   2.225031   3.121904   3.539043   3.853843
    17  H    1.084343   2.223841   3.539885   3.119135   3.197285
    18  H    3.541230   2.208401   1.082844   2.243305   5.127746
    19  H    3.126197   2.211521   1.082991   2.243319   5.688608
    20  H    3.539229   2.207223   2.244459   1.083240   4.458928
    21  H    3.123889   2.209924   2.243291   1.082959   5.094394
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.403497   0.000000
    13  H    3.845102   1.823216   0.000000
    14  H    3.844603   2.530810   3.118024   0.000000
    15  H    3.190333   3.119028   2.529116   1.823422   0.000000
    16  H    4.414545   3.252393   4.463822   4.120989   5.131072
    17  H    3.854030   4.458412   5.094142   5.127452   5.688558
    18  H    4.121288   4.721598   5.580838   3.064888   4.272792
    19  H    5.131370   5.159285   6.365847   4.272250   5.671488
    20  H    3.253385   5.929298   6.283472   4.721690   5.160278
    21  H    4.464620   6.282817   6.989694   5.580564   6.366344
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.828339   0.000000
    18  H    3.844951   4.404075   0.000000
    19  H    3.190364   3.847175   1.823409   0.000000
    20  H    4.403564   3.840527   2.530707   3.119021   0.000000
    21  H    3.844928   3.187113   3.117927   2.529106   1.823206
                   21
    21  H    0.000000
 Stoichiometry    C9H12
 Framework group  C1[X(C9H12)]
 Deg. of freedom    57
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 2.86D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.850997    1.132902   -1.105650
      2          6           0        1.349583    0.074712   -0.171197
      3          6           0        0.000033    0.589081   -0.000049
      4          6           0        2.545757   -0.163361    0.661658
      5          6           0        2.010439   -1.243659   -0.273932
      6          6           0       -0.850800    1.132550    1.105829
      7          6           0       -1.349503    0.074646    0.171128
      8          6           0       -2.010462   -1.243726    0.273569
      9          6           0       -2.545996   -0.163032   -0.661407
     10          1           0        1.247956    2.136318   -0.998967
     11          1           0        0.606749    0.844078   -2.122271
     12          1           0        2.409697   -0.307621    1.726593
     13          1           0        3.473352    0.323369    0.386964
     14          1           0        1.522142   -2.099447    0.175269
     15          1           0        2.586225   -1.466945   -1.163587
     16          1           0       -0.606306    0.843541    2.122338
     17          1           0       -1.247840    2.135964    0.999440
     18          1           0       -1.522526   -2.099396   -0.176207
     19          1           0       -2.585918   -1.467289    1.163367
     20          1           0       -2.410375   -0.306923   -1.726447
     21          1           0       -3.473450    0.323675   -0.386186
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.1657619           1.1638082           1.0780134
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20     21
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 348 were deleted.
 There are   333 symmetry adapted cartesian basis functions of A   symmetry.
 There are   315 symmetry adapted basis functions of A   symmetry.
   315 basis functions,   567 primitive gaussians,   333 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       431.2966651839 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   21 NActive=   21 NUniq=   21 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0310334547 Hartrees.
 Nuclear repulsion after empirical dispersion term =      431.2656317293 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:43 2021, MaxMem= 10737418240 cpu:              34.3 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   315 RedAO= T EigKep=  8.09D-06  NBF=   315
 NBsUse=   315 1.00D-06 EigRej= -1.00D+00 NBFU=   315
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   333   333   333   333   333 MxSgAt=    21 MxSgA2=    21.
 Leave Link  302 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:               8.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "03_trispirononane_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:46 2021, MaxMem= 10737418240 cpu:               7.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737187857 LenY= 10737076527
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -350.085303268781    
 DIIS: error= 2.28D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -350.085303268781     IErMin= 1 ErrMin= 2.28D-03
 ErrMax= 2.28D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.01D-03 BMatP= 4.01D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.28D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.303 Goal=   None    Shift=    0.000
 GapD=    0.303 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.32D-02 MaxDP=9.79D-01              OVMax= 7.46D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.11D-02    CP:  1.38D+00
 E= -350.088495741882     Delta-E=       -0.003192473101 Rises=F Damp=F
 DIIS: error= 2.87D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -350.088495741882     IErMin= 2 ErrMin= 2.87D-04
 ErrMax= 2.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-05 BMatP= 4.01D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.87D-03
 Coeff-Com:  0.163D-01 0.984D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.162D-01 0.984D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=6.11D-04 MaxDP=3.44D-02 DE=-3.19D-03 OVMax= 2.38D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.05D-04    CP:  1.39D+00  1.02D+00
 E= -350.088488322923     Delta-E=        0.000007418958 Rises=F Damp=F
 DIIS: error= 3.51D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -350.088495741882     IErMin= 2 ErrMin= 2.87D-04
 ErrMax= 3.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-05 BMatP= 4.28D-05
 IDIUse=3 WtCom= 3.48D-01 WtEn= 6.52D-01
 Coeff-Com: -0.574D-02 0.517D+00 0.489D+00
 Coeff-En:   0.000D+00 0.537D+00 0.463D+00
 Coeff:     -0.200D-02 0.530D+00 0.472D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=1.45D-04 MaxDP=6.12D-03 DE= 7.42D-06 OVMax= 1.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.09D-05    CP:  1.39D+00  1.03D+00  9.22D-01
 E= -350.088541706115     Delta-E=       -0.000053383191 Rises=F Damp=F
 DIIS: error= 4.72D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -350.088541706115     IErMin= 4 ErrMin= 4.72D-05
 ErrMax= 4.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-07 BMatP= 4.28D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.294D-02 0.151D+00 0.181D+00 0.671D+00
 Coeff:     -0.294D-02 0.151D+00 0.181D+00 0.671D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=2.29D-05 MaxDP=9.93D-04 DE=-5.34D-05 OVMax= 2.73D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.54D-05    CP:  1.39D+00  1.03D+00  9.24D-01  1.01D+00
 E= -350.088542310419     Delta-E=       -0.000000604305 Rises=F Damp=F
 DIIS: error= 1.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -350.088542310419     IErMin= 5 ErrMin= 1.89D-05
 ErrMax= 1.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-07 BMatP= 8.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-02 0.217D-01 0.463D-01 0.388D+00 0.545D+00
 Coeff:     -0.104D-02 0.217D-01 0.463D-01 0.388D+00 0.545D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=6.13D-06 MaxDP=2.63D-04 DE=-6.04D-07 OVMax= 8.75D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.96D-06    CP:  1.39D+00  1.03D+00  9.24D-01  1.01D+00  8.02D-01
 E= -350.088542545135     Delta-E=       -0.000000234715 Rises=F Damp=F
 DIIS: error= 2.26D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -350.088542545135     IErMin= 6 ErrMin= 2.26D-06
 ErrMax= 2.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-09 BMatP= 2.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.294D-03 0.374D-02 0.118D-01 0.127D+00 0.183D+00 0.675D+00
 Coeff:     -0.294D-03 0.374D-02 0.118D-01 0.127D+00 0.183D+00 0.675D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=1.26D-06 MaxDP=8.88D-05 DE=-2.35D-07 OVMax= 1.73D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.71D-07    CP:  1.39D+00  1.03D+00  9.25D-01  1.01D+00  7.89D-01
                    CP:  9.08D-01
 E= -350.088542546540     Delta-E=       -0.000000001405 Rises=F Damp=F
 DIIS: error= 1.59D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -350.088542546540     IErMin= 7 ErrMin= 1.59D-06
 ErrMax= 1.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-09 BMatP= 2.66D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04-0.775D-03-0.549D-04 0.150D-01 0.171D-01 0.402D+00
 Coeff-Com:  0.566D+00
 Coeff:     -0.165D-04-0.775D-03-0.549D-04 0.150D-01 0.171D-01 0.402D+00
 Coeff:      0.566D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=3.91D-07 MaxDP=2.51D-05 DE=-1.41D-09 OVMax= 7.55D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.51D-07    CP:  1.39D+00  1.03D+00  9.25D-01  1.01D+00  7.89D-01
                    CP:  9.15D-01  7.03D-01
 E= -350.088542547735     Delta-E=       -0.000000001195 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -350.088542547735     IErMin= 8 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.27D-12 BMatP= 1.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-05-0.302D-03-0.345D-03 0.141D-02 0.274D-03 0.101D+00
 Coeff-Com:  0.177D+00 0.721D+00
 Coeff:      0.176D-05-0.302D-03-0.345D-03 0.141D-02 0.274D-03 0.101D+00
 Coeff:      0.177D+00 0.721D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=5.95D-08 MaxDP=2.31D-06 DE=-1.20D-09 OVMax= 8.94D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.33D-08    CP:  1.39D+00  1.03D+00  9.25D-01  1.01D+00  7.88D-01
                    CP:  9.16D-01  7.20D-01  9.93D-01
 E= -350.088542547748     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -350.088542547748     IErMin= 9 ErrMin= 4.51D-08
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-12 BMatP= 9.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-05-0.117D-03-0.185D-03-0.609D-04-0.811D-03 0.324D-01
 Coeff-Com:  0.640D-01 0.372D+00 0.532D+00
 Coeff:      0.171D-05-0.117D-03-0.185D-03-0.609D-04-0.811D-03 0.324D-01
 Coeff:      0.640D-01 0.372D+00 0.532D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=7.58D-07 DE=-1.36D-11 OVMax= 3.59D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.45D-08    CP:  1.39D+00  1.03D+00  9.25D-01  1.01D+00  7.88D-01
                    CP:  9.16D-01  7.19D-01  9.99D-01  8.55D-01
 E= -350.088542547756     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 7.70D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -350.088542547756     IErMin=10 ErrMin= 7.70D-09
 ErrMax= 7.70D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-14 BMatP= 1.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-06-0.162D-04-0.379D-04-0.133D-03-0.309D-03 0.274D-02
 Coeff-Com:  0.757D-02 0.666D-01 0.182D+00 0.741D+00
 Coeff:      0.405D-06-0.162D-04-0.379D-04-0.133D-03-0.309D-03 0.274D-02
 Coeff:      0.757D-02 0.666D-01 0.182D+00 0.741D+00
 Gap=     0.255 Goal=   None    Shift=    0.000
 RMSDP=4.72D-09 MaxDP=2.29D-07 DE=-7.62D-12 OVMax= 4.74D-08

 SCF Done:  E(RB3LYP) =  -350.088542548     A.U. after   10 cycles
            NFock= 10  Conv=0.47D-08     -V/T= 2.0061
 KE= 3.479750165426D+02 PE=-1.672668348087D+03 EE= 5.433391572669D+02
 Leave Link  502 at Thu Jul  8 18:11:05 2021, MaxMem= 10737418240 cpu:            1265.7 elap:              79.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   315
 NBasis=   315 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    315 NOA=    33 NOB=    33 NVA=   282 NVB=   282

 **** Warning!!: The largest alpha MO coefficient is  0.68927610D+02

 Leave Link  801 at Thu Jul  8 18:11:06 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6490 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          21
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.55D-13 8.33D-09 XBig12= 1.00D+00 2.29D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.55D-13 8.33D-09 XBig12= 2.06D-01 7.66D-02.
     11 vectors produced by pass  2 Test12= 1.55D-13 8.33D-09 XBig12= 5.55D-02 3.13D-02.
     11 vectors produced by pass  3 Test12= 1.55D-13 8.33D-09 XBig12= 3.44D-03 1.12D-02.
     11 vectors produced by pass  4 Test12= 1.55D-13 8.33D-09 XBig12= 1.54D-04 2.59D-03.
     11 vectors produced by pass  5 Test12= 1.55D-13 8.33D-09 XBig12= 1.93D-05 5.07D-04.
     11 vectors produced by pass  6 Test12= 1.55D-13 8.33D-09 XBig12= 4.34D-07 9.37D-05.
     11 vectors produced by pass  7 Test12= 1.55D-13 8.33D-09 XBig12= 3.63D-09 7.31D-06.
      8 vectors produced by pass  8 Test12= 1.55D-13 8.33D-09 XBig12= 5.40D-11 1.00D-06.
      6 vectors produced by pass  9 Test12= 1.55D-13 8.33D-09 XBig12= 4.73D-13 9.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.94D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.125305D+03
      2 -0.341199D-03  0.101005D+03
      3  0.163608D+01  0.103523D-03  0.954840D+02
 Isotropic polarizability for W=    0.085645      107.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.186501D-01 -0.283580D+02 -0.390786D-02
      2   0.592583D-02 -0.821651D+01 -0.117988D-01
      3   0.127242D-01  0.365745D+02  0.157066D-01
      4  -0.302257D+02 -0.109821D-02 -0.110500D+01
      5  -0.296226D-02  0.217600D+01  0.134531D-01
      6  -0.247339D+01 -0.137836D-01  0.187149D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.878336D+01 -0.321688D-03  0.170177D+01
      2  -0.175266D-02 -0.276967D+01  0.385966D-02
      3   0.278638D+02 -0.530401D-03 -0.387243D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.328099D+01 -0.198486D-02  0.178597D+02
      2  -0.945601D-03  0.136840D+01  0.728860D-03
      3  -0.186766D+01  0.702404D-02 -0.464939D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.250080D+01  0.152280D-03 -0.539238D+01
      2   0.152280D-03  0.279756D+01  0.136797D-03
      3  -0.539238D+01  0.136797D-03  0.184450D+01
 OR G Eigenvalues:    -6.1418     2.7976     5.4855  Iso=    -0.7138
 Eigenvectors:
   (1)   0.828769  -0.000023   0.559590
   (2)   0.000025   1.000000   0.000004
   (3)  -0.559590   0.000010   0.828769
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7138 au.
 Molar Mass =    120.1938 grams/mole, [Alpha] ( 5320.0 A) =     -281.64 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   49770 ScalPx= 5.79D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.18D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.59D-14 2.78D-09 XBig12= 1.00D+00 4.37D-01.
     30 vectors produced by pass  1 Test12= 2.59D-14 2.78D-09 XBig12= 3.51D-02 2.96D-02.
     30 vectors produced by pass  2 Test12= 2.59D-14 2.78D-09 XBig12= 8.31D-04 4.10D-03.
     30 vectors produced by pass  3 Test12= 2.59D-14 2.78D-09 XBig12= 1.09D-05 3.95D-04.
     30 vectors produced by pass  4 Test12= 2.59D-14 2.78D-09 XBig12= 6.16D-08 3.40D-05.
     30 vectors produced by pass  5 Test12= 2.59D-14 2.78D-09 XBig12= 2.66D-10 1.73D-06.
     30 vectors produced by pass  6 Test12= 2.59D-14 2.78D-09 XBig12= 7.46D-13 8.97D-08.
      4 vectors produced by pass  7 Test12= 2.59D-14 2.78D-09 XBig12= 2.82D-15 6.73D-09.
      3 vectors produced by pass  8 Test12= 2.59D-14 2.78D-09 XBig12= 1.41D-15 3.45D-09.
      3 vectors produced by pass  9 Test12= 2.59D-14 2.78D-09 XBig12= 7.14D-15 9.55D-09.
      1 vectors produced by pass 10 Test12= 2.59D-14 2.78D-09 XBig12= 2.29D-15 4.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 3.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   49770 ScalPx= 3.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   49770 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.64D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125305D+03 -0.341199D-03  0.163608D+01
      2  -0.341199D-03  0.101005D+03  0.103523D-03
      3   0.163608D+01  0.103523D-03  0.954840D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.878336D+01 -0.321688D-03  0.170177D+01
      2  -0.175266D-02 -0.276967D+01  0.385966D-02
      3   0.278638D+02 -0.530401D-03 -0.387243D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.186501D-01 -0.283580D+02 -0.390786D-02
      2   0.592583D-02 -0.821651D+01 -0.117988D-01
      3   0.127242D-01  0.365745D+02  0.157066D-01
      4  -0.302257D+02 -0.109821D-02 -0.110500D+01
      5  -0.296226D-02  0.217600D+01  0.134531D-01
      6  -0.247339D+01 -0.137836D-01  0.187149D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.408629D+01  0.346893D+01 -0.600133D+01 -0.131082D+01 -0.374061D+01
      2   0.346893D+01 -0.483475D+01  0.107833D+01 -0.374061D+01 -0.293324D+01
      3  -0.600133D+01  0.107833D+01  0.310489D+01  0.222563D+01 -0.134284D+01
                 6             7             8             9            10 
      1   0.222563D+01 -0.228353D+01 -0.128146D+01  0.195765D+01  0.879286D-01
      2  -0.134284D+01 -0.128146D+01 -0.296152D+01  0.247183D+01  0.890018D+00
      3   0.363891D+01  0.195765D+01  0.247183D+01  0.317249D+01 -0.161609D+01
                11            12            13            14            15 
      1   0.890018D+00 -0.161609D+01  0.296580D+01 -0.101291D+01 -0.337549D+01
      2   0.291953D+00  0.564158D+00 -0.101291D+01  0.127641D+01  0.147247D+01
      3   0.564158D+00  0.831955D-01 -0.337549D+01  0.147247D+01 -0.164043D+01
                16            17            18            19            20 
      1  -0.621450D+01 -0.125704D+01  0.169587D+01 -0.137450D-02 -0.723611D+00
      2  -0.125704D+01  0.328705D+01 -0.119586D+01 -0.723611D+00  0.249544D-04
      3   0.169587D+01 -0.119586D+01 -0.884225D-01 -0.897790D-04  0.160114D+00
                21            22            23            24            25 
      1  -0.897790D-04  0.215200D+01 -0.205895D-02  0.392480D+01  0.906615D-03
      2   0.160114D+00 -0.205895D-02  0.108069D+01  0.525381D-04  0.576773D+01
      3   0.201413D-03  0.392480D+01  0.525381D-04 -0.233508D+01  0.236743D-02
                26            27            28            29            30 
      1   0.576773D+01  0.236743D-02  0.356287D+00 -0.388710D+01  0.327675D+01
      2   0.421144D-03 -0.122171D+01 -0.388710D+01 -0.274604D+00 -0.406360D+00
      3  -0.122171D+01 -0.147155D-02  0.327675D+01 -0.406360D+00  0.230357D+01
                31            32            33            34            35 
      1  -0.673378D+01  0.260320D+01 -0.161952D+00  0.487026D+01  0.156138D+01
      2   0.260320D+01  0.237571D+01  0.344490D+01  0.156138D+01  0.218582D+01
      3  -0.161952D+00  0.344490D+01  0.271393D+01  0.647472D+00  0.181851D+01
                36            37            38            39            40 
      1   0.647472D+00  0.154314D+01 -0.311619D+01  0.868388D+00 -0.246839D+01
      2   0.181851D+01 -0.311619D+01  0.333243D+01 -0.372930D+01  0.265209D+01
      3  -0.354052D+01  0.868388D+00 -0.372930D+01 -0.379454D+01 -0.117875D+01
                41            42            43            44            45 
      1   0.265209D+01 -0.117875D+01  0.294168D+01 -0.464125D+01 -0.314754D+01
      2  -0.207044D+01 -0.249920D+01 -0.464125D+01 -0.244000D+01  0.226471D-01
      3  -0.249920D+01 -0.585354D+00 -0.314754D+01  0.226471D-01  0.712633D+00
                46            47            48            49            50 
      1  -0.408542D+01  0.346604D+01  0.600094D+01 -0.131102D+01  0.374124D+01
      2   0.346604D+01  0.483405D+01  0.107981D+01  0.374124D+01 -0.293446D+01
      3   0.600094D+01  0.107981D+01 -0.310720D+01  0.222764D+01  0.133983D+01
                51            52            53            54            55 
      1   0.222764D+01  0.228171D+01 -0.128054D+01 -0.196041D+01 -0.815292D-01
      2   0.133983D+01 -0.128054D+01  0.295835D+01  0.247299D+01  0.890192D+00
      3   0.363884D+01 -0.196041D+01  0.247299D+01 -0.316855D+01  0.161661D+01
                56            57            58            59            60 
      1   0.890192D+00  0.161661D+01  0.296386D+01  0.101442D+01 -0.337468D+01
      2  -0.292655D+00  0.563777D+00  0.101442D+01  0.127944D+01 -0.147060D+01
      3   0.563777D+00 -0.830374D-01 -0.337468D+01 -0.147060D+01 -0.164040D+01
                61            62            63            64            65 
      1   0.621541D+01 -0.125685D+01 -0.169825D+01 -0.154521D+01 -0.312006D+01
      2  -0.125685D+01 -0.328547D+01 -0.119765D+01 -0.312006D+01 -0.332837D+01
      3  -0.169825D+01 -0.119765D+01  0.872337D-01 -0.867539D+00 -0.373102D+01
                66            67            68            69            70 
      1  -0.867539D+00 -0.247005D+01 -0.264867D+01 -0.118028D+01 -0.294082D+01
      2  -0.373102D+01 -0.264867D+01 -0.207276D+01  0.250019D+01 -0.464209D+01
      3   0.379124D+01 -0.118028D+01  0.250019D+01 -0.582126D+00  0.314535D+01
                71            72            73            74            75 
      1  -0.464209D+01  0.314535D+01 -0.363754D+00 -0.388598D+01 -0.327927D+01
      2   0.244118D+01  0.275176D-01 -0.388598D+01  0.275388D+00 -0.403840D+00
      3   0.275176D-01 -0.716893D+00 -0.327927D+01 -0.403840D+00 -0.230011D+01
                76            77            78            79            80 
      1  -0.673188D+01 -0.260400D+01 -0.160292D+00 -0.487304D+01  0.156330D+01
      2  -0.260400D+01  0.237894D+01 -0.344504D+01  0.156330D+01 -0.218637D+01
      3  -0.160292D+00 -0.344504D+01  0.271018D+01 -0.642534D+00  0.181543D+01
                81            82            83            84            85 
      1  -0.642534D+00  0.166527D+01  0.158578D+01 -0.198937D+00  0.311123D+01
      2   0.181543D+01  0.158578D+01  0.349633D+01 -0.929547D+00  0.322268D+01
      3   0.354511D+01 -0.198937D+00 -0.929547D+00  0.342998D+00 -0.104570D+01
                86            87            88            89            90 
      1   0.322268D+01 -0.104570D+01  0.116970D+01 -0.627723D-03  0.218103D+00
      2   0.100492D+02 -0.227907D+01 -0.627723D-03  0.559531D+00  0.118578D+01
      3  -0.227907D+01  0.182539D+01  0.218103D+00  0.118578D+01 -0.127657D+01
                91            92            93            94            95 
      1  -0.972857D+00 -0.702554D-01 -0.210853D+00 -0.106373D+01  0.610248D+00
      2  -0.702554D-01  0.243438D+00  0.499359D-01  0.610248D+00  0.498678D+00
      3  -0.210853D+00  0.499359D-01 -0.179788D+01 -0.308404D+00 -0.115644D+01
                96            97            98            99           100 
      1  -0.308404D+00 -0.172266D+01  0.709351D-01 -0.199458D+00  0.926178D+00
      2  -0.115644D+01  0.709351D-01 -0.157382D+01  0.119047D+01  0.660380D+00
      3  -0.202836D+01 -0.199458D+00  0.119047D+01 -0.106425D+02  0.731733D+00
               101           102           103           104           105 
      1   0.660380D+00  0.731733D+00  0.663437D+00  0.317720D+00  0.192826D+00
      2  -0.270209D+00  0.303875D+00  0.317720D+00 -0.597810D+00  0.572081D+00
      3   0.303875D+00 -0.510821D+00  0.192826D+00  0.572081D+00 -0.109265D+01
               106           107           108           109           110 
      1   0.262763D+01 -0.357544D+00  0.293489D+01  0.112188D+02  0.294556D+01
      2  -0.357544D+00  0.116256D+01 -0.804831D+00  0.294556D+01  0.180435D+01
      3   0.293489D+01 -0.804831D+00  0.969632D+01  0.608279D+00  0.216281D+00
               111           112           113           114           115 
      1   0.608279D+00  0.556539D+01  0.197930D+01  0.249539D+00 -0.231154D+01
      2   0.216281D+00  0.197930D+01  0.135167D+01 -0.186628D+00 -0.413118D+00
      3   0.108489D+01  0.249539D+00 -0.186628D+00  0.630259D+00  0.144741D+01
               116           117           118           119           120 
      1  -0.413118D+00  0.144741D+01 -0.113681D+01 -0.486339D+00  0.366909D-01
      2  -0.960820D+00  0.219116D+00 -0.486339D+00 -0.301047D+01  0.102866D+01
      3   0.219116D+00  0.511349D+00  0.366909D-01  0.102866D+01 -0.297448D+00
               121           122           123           124           125 
      1  -0.125359D+01 -0.324502D+00  0.417595D+00  0.768089D+00  0.775530D+00
      2  -0.324502D+00 -0.791529D+01  0.109622D+01  0.775530D+00  0.245188D+01
      3   0.417595D+00  0.109622D+01 -0.125795D+01  0.359915D+00 -0.153377D+01
               126           127           128           129           130 
      1   0.359915D+00  0.348482D+01 -0.162775D+01 -0.226504D+01 -0.550716D+00
      2  -0.153377D+01 -0.162775D+01  0.139368D+01  0.174376D+01  0.124543D+01
      3   0.891388D+00 -0.226504D+01  0.174376D+01  0.286267D+01  0.102171D+01
               131           132           133           134           135 
      1   0.124543D+01  0.102171D+01 -0.438012D+01  0.265894D+01  0.364935D+01
      2  -0.257483D+01 -0.142276D+01  0.265894D+01 -0.279739D+01 -0.276271D+01
      3  -0.142276D+01 -0.103630D+01  0.364935D+01 -0.276271D+01 -0.534437D+01
               136           137           138           139           140 
      1   0.974142D+00 -0.702197D-01  0.210965D+00 -0.106418D+01 -0.609985D+00
      2  -0.702197D-01 -0.242966D+00  0.498520D-01 -0.609985D+00  0.497926D+00
      3   0.210965D+00  0.498520D-01  0.180015D+01 -0.308923D+00  0.115684D+01
               141           142           143           144           145 
      1  -0.308923D+00  0.172242D+01  0.710261D-01  0.201701D+00 -0.166585D+01
      2   0.115684D+01  0.710261D-01  0.157336D+01  0.118866D+01  0.158576D+01
      3  -0.202929D+01  0.201701D+00  0.118866D+01  0.106408D+02  0.199550D+00
               146           147           148           149           150 
      1   0.158576D+01  0.199550D+00  0.311151D+01 -0.322221D+01 -0.104634D+01
      2  -0.349615D+01 -0.930315D+00 -0.322221D+01  0.100467D+02  0.228061D+01
      3  -0.930315D+00 -0.343434D+00 -0.104634D+01  0.228061D+01  0.182609D+01
               151           152           153           154           155 
      1  -0.116848D+01 -0.117835D-02 -0.218044D+00  0.113531D+01 -0.485329D+00
      2  -0.117835D-02 -0.557133D+00  0.118588D+01 -0.485329D+00  0.300740D+01
      3  -0.218044D+00  0.118588D+01  0.127743D+01 -0.370797D-01  0.102951D+01
               156           157           158           159           160 
      1  -0.370797D-01 -0.125307D+01  0.322458D+00  0.417660D+00 -0.769209D+00
      2   0.102951D+01  0.322458D+00 -0.791455D+01 -0.109948D+01  0.775019D+00
      3   0.297881D+00  0.417660D+00 -0.109948D+01 -0.125898D+01 -0.359725D+00
               161           162           163           164           165 
      1   0.775019D+00 -0.359725D+00 -0.348111D+01 -0.162668D+01  0.226317D+01
      2  -0.245606D+01 -0.153591D+01 -0.162668D+01 -0.139382D+01  0.174377D+01
      3  -0.153591D+01 -0.893543D+00  0.226317D+01  0.174377D+01 -0.286060D+01
               166           167           168           169           170 
      1  -0.551264D+00 -0.124620D+01  0.102222D+01  0.437892D+01  0.265943D+01
      2  -0.124620D+01 -0.257667D+01  0.142322D+01  0.265943D+01  0.279887D+01
      3   0.102222D+01  0.142322D+01 -0.103744D+01 -0.364799D+01 -0.276420D+01
               171           172           173           174           175 
      1  -0.364799D+01 -0.927586D+00  0.660693D+00 -0.732127D+00  0.664414D+00
      2  -0.276420D+01  0.660693D+00  0.269469D+00  0.303388D+00 -0.318043D+00
      3   0.534508D+01 -0.732127D+00  0.303388D+00  0.507953D+00  0.193070D+00
               176           177           178           179           180 
      1  -0.318043D+00  0.193070D+00 -0.262922D+01 -0.357101D+00 -0.293809D+01
      2  -0.597026D+00 -0.571757D+00 -0.357101D+00 -0.116234D+01 -0.802065D+00
      3  -0.571757D+00 -0.108981D+01 -0.293809D+01 -0.802065D+00 -0.969724D+01
               181           182           183           184           185 
      1  -0.112167D+02  0.294616D+01 -0.604729D+00  0.556484D+01 -0.197960D+01
      2   0.294616D+01 -0.180449D+01  0.215160D+00 -0.197960D+01  0.135171D+01
      3  -0.604729D+00  0.215160D+00 -0.108455D+01  0.248112D+00  0.187395D+00
               186           187           188           189 
      1   0.248112D+00  0.231641D+01 -0.414491D+00 -0.144802D+01
      2   0.187395D+00 -0.414491D+00  0.961896D+00  0.219845D+00
      3   0.630594D+00 -0.144802D+01  0.219845D+00 -0.509816D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.450991D+01  0.553742D+01 -0.728262D+01  0.584865D+01  0.933158D+01
      2  -0.201418D+01  0.263427D+01  0.177653D+01  0.475486D+01 -0.804815D+01
      3   0.318119D+00  0.506955D+01 -0.753366D+01  0.645464D+01 -0.287229D+01
                 6             7             8             9            10 
      1  -0.834686D+01 -0.356829D+01  0.426802D+01 -0.106492D+02 -0.249416D+00
      2   0.643014D+01 -0.510489D+01  0.230450D+01  0.700293D+01 -0.170982D+01
      3   0.385685D+01 -0.651530D+01  0.255844D+01  0.101492D+01  0.393197D+01
                11            12            13            14            15 
      1   0.131043D+01  0.304212D+01 -0.245823D+01  0.389282D+00 -0.448764D+01
      2  -0.882077D-01  0.452914D+01 -0.226198D+01  0.244968D+01 -0.630943D+01
      3  -0.865818D+01 -0.165205D+00  0.135626D+02 -0.286374D+01 -0.245363D+01
                16            17            18            19            20 
      1  -0.749742D+01  0.419835D+01  0.653597D+00  0.153113D-02 -0.266972D+01
      2  -0.952504D+01  0.181188D+01  0.376245D+00 -0.329507D+01 -0.958170D-03
      3  -0.837923D+00 -0.731330D+01  0.355773D+01 -0.212685D-03 -0.589000D+01
                21            22            23            24            25 
      1  -0.164973D-03  0.333219D+01 -0.532423D-03 -0.400117D+00 -0.140253D-02
      2   0.629912D+01 -0.124510D-03 -0.717611D+00  0.455273D-03 -0.142550D+02
      3   0.153721D-03  0.143312D+02 -0.338730D-02 -0.341576D-01  0.554783D-03
                26            27            28            29            30 
      1   0.368847D+01  0.220295D-02 -0.413544D+01  0.137702D+01  0.116458D+00
      2  -0.446070D-03  0.370857D+00  0.140962D+02  0.262400D+01  0.923818D+01
      3   0.665425D+01  0.238357D-02  0.107477D+02 -0.282670D+01  0.838469D+00
                31            32            33            34            35 
      1  -0.151068D+01  0.462717D+01  0.103613D+01  0.281394D+01  0.521800D+01
      2   0.500271D+01  0.104241D+02  0.905636D+01 -0.591258D+01  0.452447D+01
      3  -0.362166D+01 -0.983679D+01 -0.103930D+02 -0.340490D+01 -0.946606D+01
                36            37            38            39            40 
      1   0.305260D+01  0.195230D+01 -0.922578D+01 -0.452917D+01 -0.516736D+01
      2  -0.136457D+02 -0.656696D+00 -0.838534D+01 -0.668619D+01 -0.508585D+01
      3  -0.741510D+01  0.851896D+01 -0.867303D+01  0.831269D+01  0.131599D+01
                41            42            43            44            45 
      1  -0.523319D+01 -0.313684D+01 -0.674288D+01  0.640883D+01  0.109562D+01
      2  -0.406097D+01 -0.286839D+01 -0.791503D+01 -0.198052D+01 -0.617446D+00
      3  -0.579535D+00  0.106638D+02  0.968612D+01  0.147931D+02  0.730669D+01
                46            47            48            49            50 
      1  -0.451165D+01  0.553617D+01  0.728813D+01  0.584769D+01 -0.932934D+01
      2  -0.201405D+01 -0.263329D+01  0.177814D+01 -0.475472D+01 -0.804579D+01
      3  -0.318613D+00  0.506433D+01  0.753365D+01  0.645059D+01  0.287034D+01
                51            52            53            54            55 
      1  -0.835032D+01  0.357675D+01  0.426204D+01  0.106429D+02  0.249520D+00
      2  -0.643239D+01 -0.510162D+01 -0.230804D+01  0.700121D+01 -0.171059D+01
      3   0.385579D+01  0.651393D+01  0.255735D+01 -0.101753D+01 -0.393116D+01
                56            57            58            59            60 
      1   0.130970D+01 -0.304232D+01 -0.246026D+01 -0.389878D+00 -0.448670D+01
      2   0.887618D-01  0.452947D+01  0.226172D+01  0.244683D+01  0.630890D+01
      3  -0.865939D+01  0.165072D+00  0.135629D+02  0.286910D+01 -0.244911D+01
                61            62            63            64            65 
      1   0.749720D+01  0.419761D+01 -0.652004D+00 -0.194890D+01 -0.922418D+01
      2  -0.952307D+01 -0.180865D+01  0.378426D+00 -0.657203D+00  0.839114D+01
      3   0.839284D+00 -0.731101D+01 -0.356159D+01 -0.852720D+01 -0.865505D+01
                66            67            68            69            70 
      1   0.452529D+01 -0.516628D+01  0.523507D+01 -0.312997D+01  0.674114D+01
      2  -0.667933D+01  0.508888D+01 -0.406673D+01  0.286075D+01 -0.791020D+01
      3  -0.832091D+01  0.133235D+01  0.566316D+00  0.106713D+02 -0.969026D+01
                71            72            73            74            75 
      1   0.641821D+01 -0.110021D+01  0.413337D+01  0.137621D+01 -0.117534D+00
      2   0.196720D+01 -0.604587D+00  0.140989D+02 -0.263083D+01  0.922532D+01
      3   0.148003D+02 -0.729064D+01 -0.107451D+02 -0.282796D+01 -0.830747D+00
                76            77            78            79            80 
      1  -0.150968D+01 -0.462724D+01  0.103318D+01 -0.281656D+01  0.521480D+01
      2  -0.500630D+01  0.104248D+02 -0.904336D+01 -0.593050D+01 -0.451171D+01
      3  -0.362638D+01  0.984999D+01 -0.103957D+02  0.340885D+01 -0.946790D+01
                81            82            83            84            85 
      1  -0.304936D+01 -0.255096D+01 -0.393324D+01 -0.279912D+00 -0.270306D+01
      2  -0.136573D+02  0.193441D+01  0.938919D+00  0.113073D+01  0.284486D+01
      3   0.740442D+01  0.126825D+01 -0.362354D+01  0.889142D+00  0.476174D+01
                86            87            88            89            90 
      1  -0.115186D+02 -0.231294D+01 -0.437903D+00 -0.149780D+01  0.495905D+00
      2   0.178849D+01  0.154216D+01 -0.249110D+00  0.133034D+01 -0.102888D+01
      3  -0.479634D+01  0.621690D+00  0.143752D+01 -0.134699D+00 -0.721878D+00
                91            92            93            94            95 
      1   0.146469D+01 -0.481776D-01  0.331352D+01 -0.378107D+00  0.132857D+01
      2  -0.282213D+01 -0.328277D+00 -0.946617D+00 -0.201961D+01 -0.688309D+00
      3  -0.765287D+00 -0.470546D+00 -0.297966D+00 -0.460189D+00  0.341298D-01
                96            97            98            99           100 
      1   0.344094D+01  0.306691D+00  0.371536D+01  0.143210D+02  0.109611D+01
      2  -0.305354D+01 -0.648410D+01  0.120869D+01 -0.114663D+02  0.237677D+01
      3   0.360132D+00 -0.254972D+01  0.118480D+01 -0.151930D+01 -0.149945D+01
               101           102           103           104           105 
      1   0.135141D-01  0.395728D+00  0.119380D+00 -0.822569D+00 -0.802902D+00
      2   0.369705D+00 -0.158532D+01 -0.398235D+00  0.164320D+01 -0.358832D+01
      3  -0.142922D+00 -0.124078D+01 -0.359227D+00  0.159097D+01 -0.127174D+01
               106           107           108           109           110 
      1   0.190826D-02  0.436003D+01  0.140742D+01  0.351696D+01  0.185127D+01
      2   0.290564D+01 -0.204321D+01  0.275682D+02 -0.706532D+01 -0.143778D+01
      3   0.816798D+00 -0.390796D+01  0.219313D+01 -0.861395D+01 -0.899154D+01
               111           112           113           114           115 
      1  -0.707993D+00  0.235145D+01  0.122250D+01 -0.111584D+01 -0.527594D+00
      2   0.590218D+01 -0.308228D+01 -0.219118D+01  0.260951D+01  0.490545D+01
      3  -0.824366D+00 -0.331922D+01 -0.428301D+01  0.559528D+00  0.999027D+00
               116           117           118           119           120 
      1   0.361807D+00  0.736863D+00  0.964214D+00  0.297558D+01 -0.182585D+01
      2   0.125827D+01  0.462885D+00  0.666017D+00  0.146198D+01 -0.115648D+00
      3   0.276165D+01 -0.623303D+00  0.563112D+01  0.838149D+01 -0.328104D+01
               121           122           123           124           125 
      1   0.518529D+00  0.464844D+01 -0.532624D+01  0.495974D+00 -0.259057D+01
      2   0.687599D+00  0.189599D+01 -0.199592D+01 -0.139350D+00 -0.302271D+01
      3   0.610654D+01  0.213276D+02 -0.359698D+01 -0.399843D+01 -0.800080D+01
               126           127           128           129           130 
      1   0.264431D+01 -0.356842D+01  0.147672D+01  0.479959D+01  0.130638D+01
      2   0.138088D+01 -0.274931D+01  0.368969D+01  0.747499D+01  0.166929D+01
      3   0.379617D+01 -0.159122D+01 -0.237223D+01 -0.128245D+01 -0.279254D+00
               131           132           133           134           135 
      1  -0.736178D+00 -0.261503D+01  0.461826D+01 -0.103168D+01 -0.817320D+01
      2  -0.285333D+01 -0.268579D+01  0.331856D+01 -0.471753D+01 -0.106281D+02
      3   0.533814D+01  0.207881D+01  0.242774D+00  0.419695D+01  0.156809D+01
               136           137           138           139           140 
      1  -0.146571D+01 -0.462291D-01 -0.331644D+01 -0.377010D+00 -0.132998D+01
      2  -0.282573D+01  0.328319D+00 -0.948891D+00  0.202181D+01 -0.688942D+00
      3   0.766315D+00 -0.469985D+00  0.298355D+00 -0.460029D+00 -0.344809D-01
               141           142           143           144           145 
      1   0.344230D+01 -0.309979D+00  0.371814D+01 -0.143162D+02  0.255095D+01
      2   0.305502D+01 -0.648724D+01 -0.120661D+01 -0.114652D+02  0.193507D+01
      3   0.359528D+00  0.254809D+01  0.118320D+01  0.151967D+01 -0.126867D+01
               146           147           148           149           150 
      1  -0.393375D+01  0.279093D+00 -0.270245D+01  0.115170D+02 -0.230997D+01
      2  -0.938525D+00  0.113043D+01 -0.284583D+01  0.178850D+01 -0.154160D+01
      3  -0.362312D+01 -0.889476D+00  0.476144D+01  0.479321D+01  0.621718D+00
               151           152           153           154           155 
      1   0.436529D+00 -0.149398D+01 -0.496736D+00 -0.963976D+00  0.297382D+01
      2  -0.250437D+00 -0.132957D+01 -0.102972D+01  0.668636D+00 -0.146470D+01
      3  -0.143631D+01 -0.133106D+00  0.722068D+00 -0.562342D+01  0.837144D+01
               156           157           158           159           160 
      1   0.182560D+01  0.517847D+00 -0.464846D+01 -0.532861D+01 -0.496164D+00
      2  -0.117202D+00 -0.689937D+00  0.190432D+01  0.199928D+01 -0.140790D+00
      3   0.328403D+01  0.610001D+01 -0.213225D+02 -0.360588D+01  0.399996D+01
               161           162           163           164           165 
      1  -0.259422D+01 -0.264938D+01  0.356647D+01  0.147816D+01 -0.479744D+01
      2   0.302820D+01  0.138534D+01 -0.274846D+01 -0.369095D+01  0.747109D+01
      3  -0.801118D+01 -0.380265D+01  0.158920D+01 -0.237339D+01  0.128539D+01
               166           167           168           169           170 
      1   0.130746D+01  0.737123D+00 -0.261777D+01 -0.461795D+01 -0.103486D+01
      2  -0.166960D+01 -0.285406D+01  0.268812D+01  0.331730D+01  0.472125D+01
      3  -0.279814D+00 -0.534142D+01  0.207882D+01 -0.240963D+00  0.419863D+01
               171           172           173           174           175 
      1   0.817628D+01 -0.109581D+01  0.153837D-01 -0.396118D+00  0.119446D+00
      2  -0.106312D+02  0.237543D+01 -0.368320D+00 -0.157623D+01  0.398783D+00
      3  -0.157271D+01  0.150102D+01 -0.145504D+00  0.123927D+01 -0.360068D+00
               176           177           178           179           180 
      1   0.821186D+00 -0.801966D+00 -0.203944D-02  0.436020D+01 -0.140482D+01
      2   0.164185D+01  0.357992D+01  0.291568D+01  0.203569D+01  0.275714D+02
      3  -0.158904D+01 -0.127057D+01 -0.817485D+00 -0.390860D+01 -0.218555D+01
               181           182           183           184           185 
      1  -0.351574D+01  0.184968D+01  0.710036D+00  0.235110D+01 -0.122200D+01
      2  -0.706990D+01  0.144045D+01  0.590409D+01  0.308396D+01 -0.219264D+01
      3   0.861183D+01 -0.899157D+01  0.820320D+00 -0.331834D+01  0.428252D+01
               186           187           188           189 
      1  -0.111682D+01  0.529637D+00  0.361091D+00 -0.737545D+00
      2  -0.261188D+01  0.491043D+01 -0.126135D+01  0.457222D+00
      3   0.561679D+00 -0.100162D+01  0.276592D+01  0.624982D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.840707D+01  0.159199D+02 -0.596238D+01  0.675704D+01 -0.217290D+01
      2  -0.209666D+01 -0.198776D+02  0.138051D+02 -0.115181D+02 -0.171171D+02
      3   0.105037D+02  0.395769D+01 -0.784277D+01  0.476106D+01  0.192900D+02
      4   0.680164D+01 -0.568846D+01 -0.424682D+01 -0.959331D+01 -0.186194D+02
      5  -0.165984D+02 -0.270026D+01  0.143006D+02  0.197785D+01  0.318548D+01
      6  -0.173195D+02  0.894577D+01  0.272701D+01  0.102924D+02  0.508646D+00
                 6             7             8             9            10 
      1   0.100612D+02  0.747637D+00  0.628044D+01  0.116542D+02  0.281720D+01
      2   0.844651D+00  0.443098D+01 -0.315284D+01  0.134301D+02 -0.405594D+01
      3  -0.109058D+02 -0.517861D+01 -0.312760D+01 -0.250843D+02  0.123874D+01
      4   0.116430D+01 -0.722177D+01 -0.400558D+01  0.835024D+01  0.532249D+01
      5   0.402624D+01  0.109219D+02  0.613163D+01 -0.269131D+01 -0.159393D+02
      6   0.720948D+01  0.551258D+01  0.760912D+01 -0.405904D+01  0.291657D+01
                11            12            13            14            15 
      1  -0.683048D+00 -0.600349D+01 -0.839361D+00 -0.154130D+01 -0.620743D+01
      2   0.417955D+01  0.254264D+01  0.449978D+01 -0.666959D+00  0.206042D+01
      3  -0.349651D+01  0.346084D+01 -0.366042D+01  0.220826D+01  0.414702D+01
      4  -0.135038D+01  0.499278D+01 -0.716001D+01  0.999277D+01  0.288466D+01
      5   0.686136D+01 -0.361868D+00 -0.114968D+01  0.783862D+00 -0.272249D+01
      6  -0.345988D+01  0.293021D+01 -0.497895D+01  0.285565D+01  0.560175D-01
                16            17            18            19            20 
      1  -0.124576D+02 -0.340266D+01 -0.480361D+00 -0.911131D+01 -0.189633D-02
      2   0.627981D+01  0.263256D+01 -0.331002D+01  0.106138D+02 -0.103717D-02
      3   0.617781D+01  0.770103D+00  0.379038D+01 -0.150246D+01  0.293350D-02
      4   0.199251D+01  0.683820D+01 -0.220366D+01 -0.462454D-02 -0.181073D+01
      5   0.997791D-01 -0.158337D+01 -0.166086D+00  0.195308D+02  0.191216D-02
      6   0.595404D+01 -0.557016D+00  0.144322D+01  0.398143D-02  0.501153D+01
                21            22            23            24            25 
      1   0.173593D+01 -0.183534D-02 -0.195241D+01  0.316518D-02 -0.361682D+01
      2  -0.466625D+01 -0.209027D-02  0.491640D+01 -0.223001D-02  0.229971D-01
      3   0.293032D+01  0.392560D-02 -0.296400D+01 -0.935171D-03  0.359382D+01
      4   0.270567D-02 -0.254603D+01  0.220849D-02  0.427356D+00  0.633594D-02
      5  -0.124244D+02  0.769376D-02  0.693750D+00  0.922588D-03 -0.188151D+02
      6   0.721787D-04  0.876590D+01  0.142749D-04 -0.163392D+01  0.115005D-02
                26            27            28            29            30 
      1   0.138385D-04 -0.469320D+01 -0.129123D+02 -0.204064D+02  0.176099D+02
      2   0.978880D-03  0.277634D+01  0.187559D+01  0.894829D+01 -0.979485D+01
      3  -0.992718D-03  0.191686D+01  0.110368D+02  0.114581D+02 -0.781503D+01
      4   0.125837D+01 -0.702679D-03 -0.278869D+02 -0.211694D+01 -0.454219D+01
      5  -0.923549D-03  0.542311D+01  0.238294D+02 -0.496860D+01  0.144914D+02
      6  -0.122276D+01 -0.156668D-02 -0.660448D+01  0.210183D+00 -0.394659D+01
                31            32            33            34            35 
      1  -0.322881D+02  0.662125D+01 -0.832537D+00  0.299581D+02  0.325872D+01
      2   0.148516D+02 -0.674513D+01 -0.311719D+01 -0.128528D+02 -0.566346D+01
      3   0.174365D+02  0.123882D+00  0.394973D+01 -0.171054D+02  0.240473D+01
      4   0.803361D+01  0.135927D+02  0.167573D+02  0.282888D+01  0.117982D+02
      5  -0.613843D+01  0.188788D+02  0.116322D+02  0.902250D+01  0.783368D+01
      6  -0.279022D+00  0.303589D+01  0.161702D+01 -0.247163D+01  0.140689D+01
                36            37            38            39            40 
      1   0.189190D+02 -0.628914D+00 -0.593123D+01 -0.644215D+01 -0.446864D+01
      2   0.256986D+01  0.833461D+01 -0.869453D+01  0.463121D+01 -0.780496D+01
      3  -0.214888D+02 -0.770570D+01  0.146258D+02  0.181094D+01  0.122736D+02
      4   0.632299D+01 -0.110562D+02  0.144247D+02 -0.141276D+02  0.164210D+02
      5  -0.153226D+02  0.800707D+01 -0.165252D+02 -0.177977D+02 -0.811309D+01
      6   0.385565D+01 -0.340307D+00  0.951301D+01  0.103769D+02  0.584452D+01
                41            42            43            44            45 
      1   0.123536D+02 -0.114528D+02  0.614184D+00 -0.221825D+02 -0.133478D+02
      2  -0.459088D+01  0.134169D+02  0.143045D+01  0.182655D+02  0.959512D+01
      3  -0.776274D+01 -0.196413D+01 -0.204464D+01  0.391694D+01  0.375266D+01
      4  -0.210029D+02 -0.416012D+01 -0.197601D+02 -0.249535D+01  0.588068D+01
      5  -0.761164D+01  0.723297D-01 -0.161011D+02  0.293807D+01  0.816918D+01
      6   0.581802D+01 -0.242610D+01  0.125991D+02 -0.474165D+01 -0.347295D+01
                46            47            48            49            50 
      1  -0.840857D+01 -0.159144D+02 -0.595603D+01 -0.676017D+01 -0.216775D+01
      2  -0.210454D+01  0.198702D+02  0.138136D+02  0.115129D+02 -0.171143D+02
      3   0.105131D+02 -0.395572D+01 -0.785761D+01 -0.475275D+01  0.192820D+02
      4  -0.678748D+01 -0.569072D+01  0.424008D+01 -0.959513D+01  0.186180D+02
      5  -0.165955D+02  0.269310D+01  0.143025D+02 -0.198917D+01  0.319443D+01
      6   0.173110D+02  0.894980D+01 -0.272452D+01  0.102987D+02 -0.523219D+00
                51            52            53            54            55 
      1  -0.100616D+02  0.757169D+00 -0.627980D+01  0.116517D+02  0.279809D+01
      2  -0.851805D+00  0.443903D+01  0.314016D+01  0.134218D+02 -0.404658D+01
      3   0.109134D+02 -0.519620D+01  0.313964D+01 -0.250735D+02  0.124849D+01
      4   0.117410D+01  0.721474D+01 -0.399565D+01 -0.835192D+01 -0.532658D+01
      5  -0.402079D+01  0.109245D+02 -0.613093D+01 -0.270738D+01 -0.159439D+02
      6   0.720246D+01 -0.551355D+01  0.760321D+01  0.407218D+01 -0.291710D+01
                56            57            58            59            60 
      1   0.680468D+00 -0.600351D+01  0.841376D+00 -0.154596D+01  0.620489D+01
      2  -0.417643D+01  0.254506D+01 -0.449868D+01 -0.663881D+00 -0.206048D+01
      3   0.349596D+01  0.345845D+01  0.365730D+01  0.220984D+01 -0.414441D+01
      4  -0.134757D+01 -0.499278D+01 -0.716225D+01 -0.999980D+01  0.288039D+01
      5  -0.685956D+01 -0.363328D+00  0.115316D+01  0.781565D+00  0.272246D+01
      6  -0.346031D+01 -0.292998D+01 -0.497596D+01 -0.285196D+01  0.576768D-01
                61            62            63            64            65 
      1  -0.124630D+02  0.340392D+01 -0.472341D+00 -0.621338D+00  0.595658D+01
      2   0.628324D+01 -0.263472D+01 -0.331429D+01  0.833605D+01  0.866822D+01
      3   0.617976D+01 -0.769207D+00  0.378663D+01 -0.771471D+01 -0.146248D+02
      4  -0.199260D+01  0.683446D+01  0.221122D+01  0.110721D+02  0.144192D+02
      5   0.110439D+00  0.159070D+01 -0.160262D+00  0.799642D+01  0.165310D+02
      6  -0.595165D+01 -0.555454D+00 -0.144383D+01  0.337938D+00  0.952139D+01
                66            67            68            69            70 
      1  -0.644907D+01  0.448564D+01  0.123412D+02  0.114626D+02  0.606284D+00
      2   0.464555D+01  0.778633D+01 -0.457804D+01 -0.134259D+02  0.144186D+01
      3   0.180352D+01 -0.122720D+02 -0.776320D+01  0.196338D+01 -0.204815D+01
      4   0.141331D+02  0.164132D+02  0.210004D+02 -0.415849D+01  0.197613D+02
      5  -0.177825D+02  0.811783D+01 -0.761138D+01 -0.838413D-01 -0.160891D+02
      6  -0.103701D+02  0.585152D+01 -0.582470D+01 -0.243996D+01 -0.125955D+02
                71            72            73            74            75 
      1   0.221886D+02 -0.133220D+02 -0.128722D+02  0.204050D+02  0.176362D+02
      2  -0.182742D+02  0.957536D+01  0.185373D+01 -0.894540D+01 -0.980253D+01
      3  -0.391438D+01  0.374665D+01  0.110185D+02 -0.114596D+02 -0.783367D+01
      4  -0.249580D+01 -0.589541D+01  0.278829D+02 -0.212266D+01  0.452724D+01
      5  -0.295596D+01  0.818321D+01  0.238590D+02  0.495234D+01  0.144758D+02
      6  -0.475885D+01  0.348228D+01  0.659694D+01  0.208821D+00  0.394033D+01
                76            77            78            79            80 
      1   0.322822D+02  0.662337D+01  0.816001D+00  0.299877D+02 -0.327616D+01
      2  -0.148458D+02 -0.674473D+01  0.311965D+01 -0.128593D+02  0.566528D+01
      3  -0.174364D+02  0.121357D+00 -0.393565D+01 -0.171284D+02 -0.238912D+01
      4   0.803231D+01 -0.136101D+02  0.167578D+02 -0.284344D+01  0.117996D+02
      5   0.611843D+01  0.188794D+02 -0.116192D+02  0.899259D+01 -0.782224D+01
      6  -0.279453D+00 -0.303960D+01  0.161935D+01  0.246738D+01  0.140888D+01
                81            82            83            84            85 
      1   0.188915D+02  0.359862D+01 -0.364793D+01  0.191885D+01 -0.288607D+01
      2   0.259021D+01  0.457921D+01  0.113812D+02 -0.321950D+01  0.114934D+02
      3  -0.214818D+02 -0.817783D+01 -0.773329D+01  0.130065D+01 -0.860737D+01
      4  -0.631146D+01  0.108530D+02  0.189951D+02 -0.369061D+01  0.170429D+02
      5  -0.153574D+02 -0.237147D+01 -0.516661D+01  0.394639D+01 -0.582638D+01
      6  -0.384807D+01 -0.267202D+01 -0.783457D+01  0.369624D+01 -0.862572D+01
                86            87            88            89            90 
      1  -0.247193D+02  0.731821D+01  0.297828D+01  0.724835D+00 -0.601085D+01
      2   0.473474D+02 -0.752336D+01 -0.905449D+00  0.411057D+01  0.198862D+01
      3  -0.226281D+02  0.205150D+00 -0.207283D+01 -0.483541D+01  0.402222D+01
      4   0.327460D+02 -0.806557D+01  0.191468D+01  0.123032D+01  0.353775D+01
      5  -0.912354D+01  0.523631D+01  0.150876D+01  0.320775D+01 -0.225790D+01
      6  -0.226443D+02  0.119976D+02  0.181673D+01  0.702960D+01 -0.398799D+01
                91            92            93            94            95 
      1  -0.328161D+00 -0.260605D-01 -0.520279D+01 -0.297075D+01 -0.407029D+01
      2  -0.241293D+01  0.119802D+01 -0.357956D+01  0.243164D+01  0.198686D+01
      3   0.274109D+01 -0.117196D+01  0.878235D+01  0.539109D+00  0.208343D+01
      4  -0.891308D+00  0.217940D+01 -0.142259D+01  0.284430D+01  0.208831D+01
      5   0.202961D+01 -0.345372D+00  0.508225D+01  0.180121D+01 -0.205400D+01
      6   0.526292D+00  0.159334D+00 -0.377730D+01 -0.162843D+01 -0.954048D+00
                96            97            98            99           100 
      1  -0.450608D+01 -0.244688D+01  0.598587D+01 -0.338950D+02  0.716025D+01
      2  -0.679121D+01 -0.259967D-01 -0.216832D+01 -0.224299D+02 -0.593842D+01
      3   0.112973D+02  0.247287D+01 -0.381754D+01  0.563249D+02 -0.122183D+01
      4  -0.200228D+01 -0.158790D+01 -0.307618D+01  0.929303D+00  0.303773D+01
      5  -0.265108D+01  0.547006D+01  0.149542D+01 -0.110961D+02  0.390708D+01
      6   0.532853D+01 -0.374603D+00  0.896532D+01 -0.172780D+02 -0.167150D+00
               101           102           103           104           105 
      1   0.217571D+01  0.658487D+01  0.438972D+01 -0.259423D+01  0.296818D+01
      2  -0.107448D+01 -0.208881D+01 -0.210758D+01  0.300558D+00  0.707460D+00
      3  -0.110123D+01 -0.449605D+01 -0.228214D+01  0.229367D+01 -0.367564D+01
      4   0.591681D+00  0.508367D+00  0.337594D+01 -0.286690D+01  0.265498D+01
      5   0.131913D+01  0.346739D+01  0.669991D+00  0.254736D+01 -0.505331D+01
      6  -0.854228D+00  0.416181D+00  0.170323D+01 -0.214025D+01  0.693601D+01
               106           107           108           109           110 
      1   0.651598D+01  0.174572D+01 -0.123254D+02  0.824910D+02  0.204793D+02
      2  -0.115660D+02  0.623531D+00 -0.230747D+02 -0.404227D+02 -0.956861D+01
      3   0.505002D+01 -0.236925D+01  0.354001D+02 -0.420683D+02 -0.109107D+02
      4  -0.126564D+01  0.612990D+01 -0.296799D+01  0.243904D+02  0.155343D+02
      5   0.204689D+02 -0.370917D+01  0.490326D+02  0.721130D+01  0.267901D+01
      6  -0.203565D+01  0.582887D+01 -0.731836D+01  0.311903D+01  0.164342D+01
               111           112           113           114           115 
      1   0.248759D+01  0.339027D+02  0.120843D+02  0.130866D+01 -0.156297D+02
      2  -0.259957D+01 -0.149287D+02 -0.272253D+01 -0.168293D+01  0.635012D+01
      3   0.111983D+00 -0.189740D+02 -0.936178D+01  0.374275D+00  0.927961D+01
      4   0.182093D+01  0.186955D+02  0.115824D+02 -0.759784D+00 -0.363367D+01
      5   0.101557D+02  0.429470D+01 -0.899701D+00  0.437221D+01  0.117469D+02
      6   0.606299D+00  0.185203D+01  0.929041D+00  0.182577D+01  0.331155D+00
               116           117           118           119           120 
      1  -0.277926D+01  0.628106D+01 -0.320776D+01 -0.998494D+01  0.232546D+01
      2   0.108156D+01 -0.569630D+01  0.372616D+01  0.145238D+02 -0.270921D+01
      3   0.169770D+01 -0.584761D+00 -0.518406D+00 -0.453883D+01  0.383748D+00
      4  -0.524517D+01  0.223947D+01  0.256006D+01 -0.313813D+01  0.210859D+01
      5   0.227635D+01  0.199558D+01 -0.599445D+00  0.338871D+01  0.432204D+00
      6   0.176815D+01 -0.893075D+00 -0.147656D+01 -0.314426D+01  0.173190D+01
               121           122           123           124           125 
      1  -0.584505D+01 -0.263788D+02  0.512398D+01  0.349101D+01  0.113219D+02
      2   0.479563D+01  0.412133D+02 -0.690929D+01 -0.263931D+01 -0.133704D+02
      3   0.104942D+01 -0.148344D+02  0.178531D+01 -0.851695D+00  0.204846D+01
      4   0.426527D+01 -0.208396D+02  0.160361D+01  0.128890D+01  0.526144D+01
      5   0.213356D+01  0.301833D+01 -0.534948D+01  0.395490D+01 -0.514012D+01
      6  -0.158879D+01 -0.660427D+01  0.731581D+01 -0.927889D+00  0.952240D+01
               126           127           128           129           130 
      1  -0.430601D+01  0.175059D+02 -0.472016D+01 -0.709586D+01 -0.538557D-02
      2   0.426129D+01 -0.106596D+02  0.182341D+01  0.479875D+01 -0.169073D+01
      3   0.447142D-01 -0.684628D+01  0.289675D+01  0.229711D+01  0.169611D+01
      4  -0.415517D+01 -0.148701D+02  0.119781D+02  0.126255D+02  0.100015D+02
      5   0.198562D+01 -0.184257D+02  0.115666D+02  0.202391D+02  0.633860D+01
      6  -0.454723D+01  0.899470D+01 -0.768523D+01 -0.966252D+01 -0.615907D+01
               131           132           133           134           135 
      1  -0.227715D+01  0.816328D+00 -0.125092D+02  0.304355D+01  0.402659D+01
      2   0.587754D+01  0.150599D+01  0.893959D+01 -0.548382D+00 -0.105467D+02
      3  -0.360039D+01 -0.232232D+01  0.356961D+01 -0.249517D+01  0.652015D+01
      4  -0.137066D+02 -0.947445D+01  0.189013D+02 -0.170658D+02 -0.176449D+02
      5  -0.907348D+01 -0.678968D+01  0.249641D+02 -0.165485D+02 -0.315426D+02
      6   0.721918D+01  0.870005D+01 -0.137280D+02  0.142848D+02  0.188503D+02
               136           137           138           139           140 
      1  -0.329149D+00  0.253577D-01 -0.520812D+01  0.297229D+01 -0.407070D+01
      2  -0.241308D+01 -0.119629D+01 -0.358549D+01 -0.243003D+01  0.198511D+01
      3   0.274223D+01  0.117093D+01  0.879361D+01 -0.542259D+00  0.208559D+01
      4   0.891710D+00  0.217780D+01  0.142177D+01  0.284432D+01 -0.208669D+01
      5   0.203351D+01  0.344845D+00  0.508125D+01 -0.180107D+01 -0.205356D+01
      6  -0.526560D+00  0.160192D+00  0.377838D+01 -0.162824D+01  0.951349D+00
               141           142           143           144           145 
      1   0.451098D+01 -0.245149D+01 -0.597935D+01 -0.338936D+02  0.359899D+01
      2   0.679216D+01 -0.309488D-01  0.217004D+01 -0.224292D+02  0.457789D+01
      3  -0.113031D+02  0.248244D+01  0.380931D+01  0.563229D+02 -0.817688D+01
      4  -0.200234D+01  0.158650D+01 -0.307420D+01 -0.925607D+00 -0.108541D+02
      5   0.265029D+01  0.546702D+01 -0.149277D+01 -0.110830D+02 -0.237519D+01
      6   0.532953D+01  0.377896D+00  0.896101D+01  0.172603D+02  0.267590D+01
               146           147           148           149           150 
      1   0.364863D+01  0.191911D+01  0.288550D+01 -0.247152D+02 -0.732268D+01
      2  -0.113780D+02 -0.322044D+01 -0.114881D+02  0.473286D+02  0.752815D+01
      3   0.772940D+01  0.130133D+01  0.860255D+01 -0.226134D+02 -0.205470D+00
      4   0.189931D+02  0.369479D+01  0.170393D+02 -0.327354D+02 -0.807032D+01
      5   0.517049D+01  0.394835D+01  0.582956D+01 -0.912849D+01 -0.523944D+01
      6  -0.783834D+01 -0.369914D+01 -0.863005D+01  0.226544D+02  0.120032D+02
               151           152           153           154           155 
      1   0.297714D+01 -0.730430D+00 -0.601300D+01 -0.320270D+01  0.997385D+01
      2  -0.907427D+00 -0.410063D+01  0.198825D+01  0.371996D+01 -0.145077D+02
      3  -0.206971D+01  0.483106D+01  0.402475D+01 -0.517256D+00  0.453386D+01
      4  -0.191077D+01  0.122223D+01 -0.353831D+01 -0.255894D+01 -0.313339D+01
      5   0.150897D+01 -0.320882D+01 -0.225983D+01 -0.599311D+00 -0.338938D+01
      6  -0.181784D+01  0.703233D+01  0.399210D+01  0.147896D+01 -0.315069D+01
               156           157           158           159           160 
      1   0.233030D+01  0.583802D+01 -0.263696D+02 -0.513480D+01  0.349460D+01
      2  -0.271360D+01 -0.478553D+01  0.412010D+02  0.692294D+01 -0.264060D+01
      3   0.383298D+00 -0.105249D+01 -0.148314D+02 -0.178814D+01 -0.854008D+00
      4  -0.210900D+01  0.427005D+01  0.208479D+02  0.161294D+01 -0.128501D+01
      5   0.431316D+00 -0.213219D+01  0.302755D+01  0.535331D+01  0.395403D+01
      6  -0.173299D+01 -0.158926D+01  0.662518D+01  0.732246D+01  0.927688D+00
               161           162           163           164           165 
      1  -0.113336D+02 -0.431468D+01  0.174869D+02  0.471470D+01 -0.708771D+01
      2   0.133851D+02  0.426824D+01 -0.106464D+02 -0.181761D+01  0.478837D+01
      3  -0.205151D+01  0.464450D-01 -0.684049D+01 -0.289708D+01  0.229934D+01
      4   0.527560D+01  0.416184D+01  0.148610D+02  0.119778D+02 -0.126233D+02
      5   0.514758D+01  0.199322D+01 -0.184094D+02 -0.115651D+02  0.202258D+02
      6   0.953311D+01  0.455827D+01 -0.899050D+01 -0.768478D+01  0.965804D+01
               166           167           168           169           170 
      1   0.549581D-02 -0.228018D+01 -0.815922D+00 -0.125017D+02 -0.303929D+01
      2   0.169290D+01  0.588354D+01 -0.150680D+01  0.892897D+01  0.543561D+00
      3  -0.169840D+01 -0.360337D+01  0.232272D+01  0.357272D+01  0.249573D+01
      4   0.100051D+02  0.137168D+02 -0.947699D+01 -0.189015D+02 -0.170723D+02
      5  -0.634092D+01 -0.907571D+01  0.679509D+01  0.249535D+02  0.165546D+02
      6  -0.616104D+01 -0.722404D+01  0.870515D+01  0.137275D+02  0.142930D+02
               171           172           173           174           175 
      1   0.401456D+01  0.716727D+01 -0.218001D+01  0.658125D+01 -0.439307D+01
      2  -0.105347D+02 -0.594430D+01  0.107623D+01 -0.209487D+01  0.211000D+01
      3   0.652017D+01 -0.122297D+01  0.110379D+01 -0.448639D+01  0.228307D+01
      4   0.176494D+02 -0.303953D+01  0.595099D+00 -0.508125D+00  0.337796D+01
      5  -0.315404D+02  0.391313D+01 -0.131832D+01  0.348170D+01 -0.672328D+00
      6  -0.188576D+02  0.166191D+00 -0.852358D+00 -0.413009D+00  0.170435D+01
               176           177           178           179           180 
      1  -0.259022D+01 -0.296107D+01  0.651903D+01 -0.173911D+01 -0.123058D+02
      2   0.298185D+00 -0.705643D+00 -0.115766D+02 -0.620552D+00 -0.230873D+02
      3   0.229203D+01  0.366672D+01  0.505755D+01  0.235966D+01  0.353930D+02
      4   0.286374D+01  0.265539D+01  0.126205D+01  0.613091D+01  0.295565D+01
      5   0.254794D+01  0.504044D+01  0.204904D+02  0.369691D+01  0.490540D+02
      6   0.213474D+01  0.693226D+01  0.203233D+01  0.582584D+01  0.730012D+01
               181           182           183           184           185 
      1   0.824789D+02 -0.204839D+02  0.246311D+01 -0.339014D+02  0.120857D+02
      2  -0.404126D+02  0.956914D+01 -0.258643D+01  0.149255D+02 -0.272201D+01
      3  -0.420663D+02  0.109148D+02  0.123319D+00  0.189758D+02 -0.936369D+01
      4  -0.243977D+02  0.155373D+02 -0.181271D+01  0.186996D+02 -0.115841D+02
      5   0.717624D+01 -0.266996D+01  0.101520D+02 -0.427935D+01 -0.906951D+00
      6  -0.311335D+01  0.164120D+01 -0.605440D+00  0.184745D+01 -0.925585D+00
               186           187           188           189 
      1  -0.129931D+01 -0.156614D+02  0.278849D+01  0.628549D+01
      2   0.167867D+01  0.636663D+01 -0.108547D+01 -0.569797D+01
      3  -0.379364D+00  0.929480D+01 -0.170302D+01 -0.587520D+00
      4  -0.766413D+00  0.364514D+01 -0.525321D+01 -0.224346D+01
      5  -0.437249D+01  0.117512D+02 -0.228017D+01  0.198443D+01
      6   0.182567D+01 -0.331542D+00  0.176799D+01  0.893408D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:27:13 2021, MaxMem= 10737418240 cpu:           15453.6 elap:             967.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19697 -10.19656 -10.19641 -10.18515 -10.18515
 Alpha  occ. eigenvalues --  -10.18507 -10.18506 -10.18493 -10.18493  -0.90682
 Alpha  occ. eigenvalues --   -0.86716  -0.81377  -0.76563  -0.60675  -0.60501
 Alpha  occ. eigenvalues --   -0.58148  -0.56310  -0.52090  -0.50360  -0.47659
 Alpha  occ. eigenvalues --   -0.47379  -0.44942  -0.44500  -0.38029  -0.36771
 Alpha  occ. eigenvalues --   -0.36713  -0.34571  -0.32508  -0.30597  -0.30299
 Alpha  occ. eigenvalues --   -0.26775  -0.26333  -0.26105
 Alpha virt. eigenvalues --   -0.00627   0.00273   0.00617   0.00628   0.01861
 Alpha virt. eigenvalues --    0.02459   0.02538   0.02946   0.03421   0.04705
 Alpha virt. eigenvalues --    0.05403   0.05555   0.06119   0.06948   0.07341
 Alpha virt. eigenvalues --    0.07500   0.08492   0.08591   0.08880   0.09215
 Alpha virt. eigenvalues --    0.09724   0.09908   0.10106   0.10656   0.11080
 Alpha virt. eigenvalues --    0.11240   0.11663   0.12327   0.12456   0.12553
 Alpha virt. eigenvalues --    0.13266   0.13522   0.14188   0.14584   0.15096
 Alpha virt. eigenvalues --    0.15796   0.16006   0.16385   0.17039   0.17247
 Alpha virt. eigenvalues --    0.17653   0.17773   0.18255   0.18864   0.19186
 Alpha virt. eigenvalues --    0.19936   0.19984   0.21154   0.21298   0.22983
 Alpha virt. eigenvalues --    0.23331   0.23897   0.24416   0.25330   0.25385
 Alpha virt. eigenvalues --    0.26054   0.27294   0.27683   0.28132   0.28246
 Alpha virt. eigenvalues --    0.28852   0.29259   0.29679   0.31652   0.31986
 Alpha virt. eigenvalues --    0.32408   0.32882   0.32969   0.33550   0.34770
 Alpha virt. eigenvalues --    0.35285   0.35596   0.35671   0.35791   0.37218
 Alpha virt. eigenvalues --    0.37501   0.37503   0.39049   0.39344   0.39383
 Alpha virt. eigenvalues --    0.40020   0.41825   0.41858   0.43000   0.44104
 Alpha virt. eigenvalues --    0.44239   0.44728   0.45313   0.45853   0.46619
 Alpha virt. eigenvalues --    0.46654   0.47050   0.47453   0.48417   0.48495
 Alpha virt. eigenvalues --    0.49168   0.49315   0.49869   0.50072   0.51308
 Alpha virt. eigenvalues --    0.51451   0.52132   0.53829   0.53863   0.54573
 Alpha virt. eigenvalues --    0.55490   0.56092   0.56529   0.57649   0.57882
 Alpha virt. eigenvalues --    0.58603   0.59886   0.60183   0.61730   0.62141
 Alpha virt. eigenvalues --    0.62587   0.62849   0.63550   0.64476   0.64815
 Alpha virt. eigenvalues --    0.65384   0.65393   0.66407   0.67081   0.67644
 Alpha virt. eigenvalues --    0.67866   0.68068   0.68832   0.69410   0.70224
 Alpha virt. eigenvalues --    0.70225   0.71387   0.72840   0.73058   0.73202
 Alpha virt. eigenvalues --    0.73212   0.74047   0.75190   0.75813   0.78396
 Alpha virt. eigenvalues --    0.78801   0.81442   0.81561   0.83741   0.86149
 Alpha virt. eigenvalues --    0.87182   0.87993   0.89268   0.91896   0.93263
 Alpha virt. eigenvalues --    0.93616   0.94218   0.95907   0.96372   0.99134
 Alpha virt. eigenvalues --    1.00015   1.00166   1.00613   1.01230   1.01742
 Alpha virt. eigenvalues --    1.03162   1.04659   1.06143   1.07403   1.08853
 Alpha virt. eigenvalues --    1.09499   1.10174   1.12790   1.13650   1.14414
 Alpha virt. eigenvalues --    1.15793   1.19099   1.19910   1.21875   1.25726
 Alpha virt. eigenvalues --    1.27252   1.30448   1.30463   1.35018   1.36502
 Alpha virt. eigenvalues --    1.37612   1.41823   1.44258   1.45537   1.45916
 Alpha virt. eigenvalues --    1.47871   1.48908   1.49564   1.50519   1.53468
 Alpha virt. eigenvalues --    1.53861   1.55607   1.56082   1.58201   1.60023
 Alpha virt. eigenvalues --    1.60216   1.61241   1.63084   1.63345   1.68804
 Alpha virt. eigenvalues --    1.70705   1.71243   1.71736   1.73512   1.74422
 Alpha virt. eigenvalues --    1.75388   1.76104   1.78556   1.78782   1.79608
 Alpha virt. eigenvalues --    1.81358   1.82166   1.82393   1.85068   1.87146
 Alpha virt. eigenvalues --    1.88225   1.88348   1.91095   1.91597   1.92932
 Alpha virt. eigenvalues --    1.94527   1.95869   1.95973   1.98034   1.98698
 Alpha virt. eigenvalues --    1.99578   1.99682   2.01757   2.04054   2.04371
 Alpha virt. eigenvalues --    2.05252   2.07546   2.07799   2.10519   2.12297
 Alpha virt. eigenvalues --    2.13034   2.16237   2.17308   2.19422   2.20803
 Alpha virt. eigenvalues --    2.21670   2.22672   2.24804   2.26028   2.30240
 Alpha virt. eigenvalues --    2.31579   2.33705   2.34858   2.38140   2.38376
 Alpha virt. eigenvalues --    2.41636   2.43395   2.43729   2.44245   2.49329
 Alpha virt. eigenvalues --    2.51040   2.51082   2.52094   2.52337   2.55059
 Alpha virt. eigenvalues --    2.55425   2.62609   2.63156   2.65845   2.66820
 Alpha virt. eigenvalues --    2.69869   2.73470   2.82427   2.84017   2.84217
 Alpha virt. eigenvalues --    2.91797   2.92858   2.93707   2.98389   3.00169
 Alpha virt. eigenvalues --    3.03766   3.13075   3.43628   3.46148   3.80274
 Alpha virt. eigenvalues --    4.02806   4.03262
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.508115   0.256354   0.494885  -0.916713  -0.536154  -0.524680
     2  C    0.256354  12.323966  -2.847663  -0.009085   0.361544  -1.774027
     3  C    0.494885  -2.847663  14.519858  -1.396867  -1.432690   0.494533
     4  C   -0.916713  -0.009085  -1.396867   8.057678   0.346365  -0.614606
     5  C   -0.536154   0.361544  -1.432690   0.346365   7.944572  -0.037167
     6  C   -0.524680  -1.774027   0.494533  -0.614606  -0.037167   9.507073
     7  C   -1.774936  -1.997057  -2.849933   0.143377  -0.675047   0.256983
     8  C   -0.037157  -0.674943  -1.433214  -0.078722  -0.167328  -0.536258
     9  C   -0.614475   0.143636  -1.397385   0.149977  -0.078650  -0.916683
    10  H   -0.621655   0.003038   0.035518  -0.163660   0.168649  -0.117443
    11  H   -0.316566  -0.016304   0.047559   0.149538  -0.198426   0.123081
    12  H    0.104582  -0.228339  -0.061632  -0.282829   0.104101  -0.042367
    13  H   -0.123721   0.027868   0.380086  -0.643106  -0.044956   0.064755
    14  H    0.063764  -0.196271  -0.009167   0.085197  -0.325201   0.028268
    15  H   -0.094056  -0.048321   0.364583  -0.000643  -0.630112   0.006997
    16  H    0.123124  -0.095109   0.047267   0.002528  -0.020369  -0.316379
    17  H   -0.117396   0.316087   0.035728   0.026656   0.011001  -0.621626
    18  H    0.028348  -0.017302  -0.008792   0.018125  -0.017398   0.063835
    19  H    0.006983   0.068497   0.364632  -0.013085   0.038941  -0.094139
    20  H   -0.042318   0.038227  -0.061395  -0.007780   0.034397   0.104671
    21  H    0.064726   0.015608   0.380135   0.006132   0.006227  -0.123832
               7          8          9         10         11         12
     1  C   -1.774936  -0.037157  -0.614475  -0.621655  -0.316566   0.104582
     2  C   -1.997057  -0.674943   0.143636   0.003038  -0.016304  -0.228339
     3  C   -2.849933  -1.433214  -1.397385   0.035518   0.047559  -0.061632
     4  C    0.143377  -0.078722   0.149977  -0.163660   0.149538  -0.282829
     5  C   -0.675047  -0.167328  -0.078650   0.168649  -0.198426   0.104101
     6  C    0.256983  -0.536258  -0.916683  -0.117443   0.123081  -0.042367
     7  C   12.325843   0.362440  -0.008715   0.316125  -0.095050   0.038283
     8  C    0.362440   7.944790   0.346021   0.010999  -0.020362   0.034410
     9  C   -0.008715   0.346021   8.057808   0.026661   0.002528  -0.007765
    10  H    0.316125   0.010999   0.026661   2.426768  -0.514460   0.023237
    11  H   -0.095050  -0.020362   0.002528  -0.514460   2.439337  -0.001754
    12  H    0.038283   0.034410  -0.007765   0.023237  -0.001754   2.494554
    13  H    0.015609   0.006229   0.006121  -0.021325   0.022911  -0.503478
    14  H   -0.017228  -0.017429   0.018141  -0.001987   0.015139  -0.133324
    15  H    0.068452   0.038937  -0.013075   0.024234  -0.021317   0.130785
    16  H   -0.016338  -0.198446   0.149562   0.010114   0.001047  -0.037131
    17  H    0.002807   0.168711  -0.163760  -0.002397   0.010113   0.020920
    18  H   -0.196357  -0.325580   0.085006  -0.003399   0.016149   0.007141
    19  H   -0.048476  -0.630019  -0.000563   0.003887  -0.006656   0.001623
    20  H   -0.228261   0.103951  -0.283091   0.020901  -0.037061  -0.001500
    21  H    0.027650  -0.044936  -0.642823   0.001735   0.019303   0.000362
              13         14         15         16         17         18
     1  C   -0.123721   0.063764  -0.094056   0.123124  -0.117396   0.028348
     2  C    0.027868  -0.196271  -0.048321  -0.095109   0.316087  -0.017302
     3  C    0.380086  -0.009167   0.364583   0.047267   0.035728  -0.008792
     4  C   -0.643106   0.085197  -0.000643   0.002528   0.026656   0.018125
     5  C   -0.044956  -0.325201  -0.630112  -0.020369   0.011001  -0.017398
     6  C    0.064755   0.028268   0.006997  -0.316379  -0.621626   0.063835
     7  C    0.015609  -0.017228   0.068452  -0.016338   0.002807  -0.196357
     8  C    0.006229  -0.017429   0.038937  -0.198446   0.168711  -0.325580
     9  C    0.006121   0.018141  -0.013075   0.149562  -0.163760   0.085006
    10  H   -0.021325  -0.001987   0.024234   0.010114  -0.002397  -0.003399
    11  H    0.022911   0.015139  -0.021317   0.001047   0.010113   0.016149
    12  H   -0.503478  -0.133324   0.130785  -0.037131   0.020920   0.007141
    13  H    2.412696   0.121070  -0.100825   0.019327   0.001732   0.001828
    14  H    0.121070   2.552011  -0.511004   0.016155  -0.003405  -0.034034
    15  H   -0.100825  -0.511004   2.421792  -0.006666   0.003891   0.014386
    16  H    0.019327   0.016155  -0.006666   2.439817  -0.514658   0.015141
    17  H    0.001732  -0.003405   0.003891  -0.514658   2.426946  -0.001990
    18  H    0.001828  -0.034034   0.014386   0.015141  -0.001990   2.552263
    19  H   -0.000305   0.014394   0.004548  -0.021304   0.024240  -0.510982
    20  H    0.000360   0.007146   0.001621  -0.001730   0.023233  -0.133349
    21  H   -0.000060   0.001830  -0.000305   0.022903  -0.021354   0.121081
              19         20         21
     1  C    0.006983  -0.042318   0.064726
     2  C    0.068497   0.038227   0.015608
     3  C    0.364632  -0.061395   0.380135
     4  C   -0.013085  -0.007780   0.006132
     5  C    0.038941   0.034397   0.006227
     6  C   -0.094139   0.104671  -0.123832
     7  C   -0.048476  -0.228261   0.027650
     8  C   -0.630019   0.103951  -0.044936
     9  C   -0.000563  -0.283091  -0.642823
    10  H    0.003887   0.020901   0.001735
    11  H   -0.006656  -0.037061   0.019303
    12  H    0.001623  -0.001500   0.000362
    13  H   -0.000305   0.000360  -0.000060
    14  H    0.014394   0.007146   0.001830
    15  H    0.004548   0.001621  -0.000305
    16  H   -0.021304  -0.001730   0.022903
    17  H    0.024240   0.023233  -0.021354
    18  H   -0.510982  -0.133349   0.121081
    19  H    2.421687   0.130756  -0.100744
    20  H    0.130756   2.494533  -0.503373
    21  H   -0.100744  -0.503373   2.412473
 Mulliken charges:
               1
     1  C    1.068946
     2  C    0.349598
     3  C    0.333954
     4  C    1.141524
     5  C    1.147703
     6  C    1.069011
     7  C    0.349828
     8  C    1.147905
     9  C    1.141523
    10  H   -0.625538
    11  H   -0.618748
    12  H   -0.659880
    13  H   -0.642817
    14  H   -0.674065
    15  H   -0.653900
    16  H   -0.618854
    17  H   -0.625479
    18  H   -0.674120
    19  H   -0.653914
    20  H   -0.659938
    21  H   -0.642738
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.175340
     2  C    0.349598
     3  C    0.333954
     4  C   -0.161173
     5  C   -0.180262
     6  C   -0.175322
     7  C    0.349828
     8  C   -0.180129
     9  C   -0.161153
 Electronic spatial extent (au):  <R**2>=           1252.3729
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0064    Z=             -0.0000  Tot=              0.0064
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.0427   YY=            -55.5794   ZZ=            -54.4016
   XY=              0.0006   XZ=             -0.9125   YZ=              0.0003
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.7015   YY=             -0.2382   ZZ=              0.9396
   XY=              0.0006   XZ=             -0.9125   YZ=              0.0003
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0022  YYY=              1.1386  ZZZ=             -0.0011  XYY=             -0.0015
  XXY=              5.6735  XXZ=             -0.0002  XZZ=             -0.0006  YZZ=             -1.6944
  YYZ=             -0.0004  XYZ=              0.8790
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1145.3031 YYYY=           -355.5161 ZZZZ=           -253.0210 XXXY=             -0.0000
 XXXZ=            -16.3552 YYYX=              0.0073 YYYZ=              0.0049 ZZZX=              2.6403
 ZZZY=             -0.0036 XXYY=           -261.2331 XXZZ=           -233.6127 YYZZ=           -108.1160
 XXYZ=              0.0036 YYXZ=             -5.9068 ZZXY=              0.0004
 N-N= 4.312656317293D+02 E-N=-1.672668348470D+03  KE= 3.479750165426D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:27:14 2021, MaxMem= 10737418240 cpu:               6.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.25009523D-05 6.53947604D-04-1.57065588D-05
 Polarizability= 1.16205500D+02-2.55729108D-04 9.47190803D+01
                 1.21316547D+00 2.46043601D-04 9.01063663D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8130   -0.8180       -0.0002   -0.0002
 2      0.8130    0.8180       -0.0000   -0.0001      -12.1480  -12.1502
 3      0.0002    0.0002       14.9219   14.9106        0.0001    0.0001
 4      0.0000    0.0001        0.0000    0.0000        0.0002    0.0002
 5     -2.7739   -2.7604       -0.0002   -0.0002       -0.8188   -0.8180
 6     -0.0001   -0.0001        0.8188    0.8180       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.4541    2.4541       -0.0005   -0.0005
 2      0.0002    0.0002        0.0000    0.0000       -0.0005   -0.0005
 3      0.0002    0.0002        2.4541    2.4541        0.0000    0.0000
 4      2.4541    2.4541       -0.0002   -0.0002      -36.4507  -36.4507
 5      0.0005    0.0005       44.7318   44.7318        0.0002    0.0002
 6     -8.2811   -8.2811       -0.0005   -0.0005       -2.4541   -2.4541
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0001    0.0000        3.1282    3.2722        0.0010    0.0007
 2     -3.1981   -3.2722        0.0003    0.0002       48.2947   48.6009
 3     -0.0008   -0.0007      -59.5959  -59.6424        0.0000   -0.0002
 4     -0.0002   -0.0002       -0.0222    0.0000       -0.0009   -0.0007
 5     11.0660   11.0415        0.0009    0.0007        3.2722    3.2722
 6      0.0002    0.0002       -3.3370   -3.2722       -0.0001    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       29.6076   29.5655        0.0019    0.0021
 2    -29.4508  -29.5655        0.0033    0.0033       22.8538   23.1061
 3     -0.0016   -0.0021      -25.1991  -25.3116       -0.0041   -0.0033
 4     -0.0035   -0.0033       -0.1571    0.0000       -0.0024   -0.0021
 5      2.0112    2.2055        0.0022    0.0021       29.1089   29.5655
 6      0.0036    0.0033      -29.3767  -29.5655        0.0005    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0071   -0.0068       49.0692   48.9406        0.0107    0.0108
 2     -0.0150   -0.0146       65.0200   64.9326        0.0103    0.0108
 3     -0.0149   -0.0146       49.0241   48.9406        0.0074    0.0079
 4    -15.9109  -15.9920        0.0080    0.0078        3.6443    3.8252
 5     -0.0030   -0.0029      -15.6993  -15.8608       -0.0083   -0.0078
 6     12.0066   12.0356        0.0031    0.0029       16.1275   15.9920
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0001    0.0004    0.0007    3.2993    4.5562   10.3355
 Low frequencies ---   93.3868  127.1124  136.7425
 Diagonal vibrational polarizability:
        1.1232731       1.2289847       0.8238067
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3867               127.1116               136.7420
 Red. masses --      3.4630                 2.6141                 2.4309
 Frc consts  --      0.0178                 0.0249                 0.0268
 IR Inten    --      0.0012                 0.0011                 0.0015
 RamAct Fr= 1--      1.1085                 0.1313                 0.5011
  Dep-P Fr= 1--      0.5496                 0.7500                 0.3514
  Dep-U Fr= 1--      0.7093                 0.8571                 0.5200
 Alpha2 Fr= 1--      0.0042                 0.0000                 0.0044
 Beta2  Fr= 1--      0.1311                 0.0188                 0.0434
 AlphaG Fr= 1--      0.0019                -0.0000                -0.0158
 Gamma2 Fr= 1--     -0.3442                -0.2527                -0.4917
 Delta2 Fr= 1--     -0.1595                -0.2214                -0.1766
 Raman1 Fr= 1--       4.434                  0.525                  2.004
 ROA1   Fr= 1--     -38.144                -31.340                -52.857
 CID1   Fr= 1--      -8.603                -59.674                -26.370
 Raman2 Fr= 1--       1.573                  0.225                  0.521
 ROA2   Fr= 1--      -6.985                 -4.293                -10.389
 CID2   Fr= 1--      -4.442                -19.073                -19.934
 Raman3 Fr= 1--       3.145                  0.450                  1.042
 ROA3   Fr= 1--     -38.144                -31.340                -52.857
 CID3   Fr= 1--     -12.128                -69.620                -50.707
 RC180  Fr= 1--       0.419                  0.714                  0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.11   0.03     0.09   0.05  -0.05     0.05   0.05   0.09
     2   6    -0.03   0.05   0.01     0.01   0.01  -0.06     0.03   0.00   0.04
     3   6     0.00   0.13  -0.00    -0.00   0.00  -0.14    -0.00  -0.06  -0.00
     4   6    -0.07  -0.16   0.00    -0.14  -0.02   0.15     0.02  -0.08   0.04
     5   6    -0.23  -0.04  -0.04     0.04   0.02  -0.00     0.10   0.05  -0.16
     6   6    -0.05   0.11  -0.03     0.09  -0.05  -0.05    -0.05   0.05  -0.09
     7   6     0.03   0.05  -0.01     0.01  -0.01  -0.06    -0.03   0.00  -0.04
     8   6     0.23  -0.04   0.04     0.04  -0.02  -0.00    -0.10   0.05   0.16
     9   6     0.07  -0.16  -0.00    -0.14   0.02   0.15    -0.02  -0.08  -0.04
    10   1     0.10   0.08   0.08     0.06   0.06   0.02    -0.03   0.07   0.19
    11   1     0.07   0.16   0.01     0.19   0.08  -0.09     0.16   0.10   0.05
    12   1    -0.09  -0.18  -0.00    -0.36  -0.06   0.12    -0.02  -0.28   0.01
    13   1     0.01  -0.29   0.02    -0.08  -0.01   0.36     0.01   0.01   0.16
    14   1    -0.36   0.01  -0.08    -0.03  -0.01  -0.14     0.15  -0.06  -0.32
    15   1    -0.26  -0.09  -0.05     0.22   0.08   0.10     0.13   0.25  -0.19
    16   1    -0.07   0.16  -0.01     0.19  -0.08  -0.09    -0.16   0.10  -0.05
    17   1    -0.10   0.08  -0.08     0.06  -0.06   0.02     0.03   0.07  -0.19
    18   1     0.36   0.01   0.08    -0.03   0.01  -0.14    -0.15  -0.06   0.32
    19   1     0.26  -0.09   0.05     0.22  -0.08   0.10    -0.13   0.25   0.19
    20   1     0.09  -0.18   0.00    -0.36   0.06   0.12     0.02  -0.28  -0.01
    21   1    -0.01  -0.29  -0.02    -0.08   0.01   0.36    -0.01   0.01  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    243.9944               261.0571               309.6948
 Red. masses --      2.4431                 2.4648                 2.5338
 Frc consts  --      0.0857                 0.0990                 0.1432
 IR Inten    --      0.0276                 0.0233                 0.1247
 RamAct Fr= 1--      3.0789                 1.2906                 0.0814
  Dep-P Fr= 1--      0.4983                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6651                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0153                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3413                 0.1844                 0.0116
 AlphaG Fr= 1--      0.0051                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4196                 1.0925                -0.0063
 Delta2 Fr= 1--     -0.0867                 0.2432                -0.0292
 Raman1 Fr= 1--      12.316                  5.163                  0.326
 ROA1   Fr= 1--     -43.056                112.660                 -1.540
 CID1   Fr= 1--      -3.496                 21.822                 -4.731
 Raman2 Fr= 1--       4.096                  2.213                  0.140
 ROA2   Fr= 1--      -9.378                 24.274                  0.083
 CID2   Fr= 1--      -2.290                 10.971                  0.594
 Raman3 Fr= 1--       8.192                  4.425                  0.279
 ROA3   Fr= 1--     -43.056                112.660                 -1.540
 CID3   Fr= 1--      -5.256                 25.459                 -5.520
 RC180  Fr= 1--       0.330                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01  -0.08    -0.02  -0.13   0.01     0.04   0.07   0.07
     2   6    -0.01   0.01  -0.10    -0.08  -0.11   0.07    -0.07  -0.13  -0.09
     3   6     0.00  -0.04  -0.00    -0.06  -0.00   0.03    -0.01   0.00  -0.00
     4   6    -0.16  -0.01   0.09    -0.03  -0.01   0.02    -0.06   0.08  -0.07
     5   6     0.00   0.02  -0.04     0.13  -0.00  -0.08     0.06  -0.09   0.06
     6   6     0.12  -0.01   0.08    -0.02   0.13   0.01     0.04  -0.07   0.07
     7   6     0.01   0.01   0.10    -0.08   0.11   0.07    -0.07   0.13  -0.09
     8   6    -0.00   0.02   0.04     0.13   0.00  -0.08     0.06   0.09   0.06
     9   6     0.16  -0.01  -0.09    -0.03   0.01   0.02    -0.06  -0.08  -0.07
    10   1    -0.18   0.02  -0.15     0.05  -0.14  -0.09     0.24  -0.03   0.26
    11   1    -0.19  -0.07  -0.04    -0.03  -0.22   0.03    -0.06   0.32   0.03
    12   1    -0.40  -0.02   0.05    -0.01  -0.18  -0.00    -0.01   0.19  -0.05
    13   1    -0.08  -0.04   0.30    -0.11   0.18   0.08    -0.13   0.17  -0.15
    14   1    -0.06  -0.02  -0.19     0.35  -0.17  -0.16     0.14  -0.07   0.17
    15   1     0.16   0.10   0.04     0.10   0.24  -0.16     0.10  -0.16   0.10
    16   1     0.19  -0.07   0.04    -0.03   0.22   0.04    -0.06  -0.32   0.03
    17   1     0.18   0.02   0.15     0.05   0.14  -0.09     0.24   0.03   0.26
    18   1     0.06  -0.02   0.19     0.35   0.17  -0.16     0.14   0.07   0.17
    19   1    -0.17   0.10  -0.04     0.10  -0.24  -0.16     0.10   0.16   0.10
    20   1     0.40  -0.02  -0.05    -0.01   0.18  -0.00    -0.01  -0.19  -0.05
    21   1     0.08  -0.04  -0.30    -0.11  -0.18   0.08    -0.13  -0.17  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    402.1717               425.9712               461.3136
 Red. masses --      2.1065                 2.4669                 2.7609
 Frc consts  --      0.2007                 0.2637                 0.3462
 IR Inten    --      0.1469                 0.0677                 0.2767
 RamAct Fr= 1--      2.6491                 3.2661                 4.7942
  Dep-P Fr= 1--      0.7444                 0.7500                 0.5577
  Dep-U Fr= 1--      0.8535                 0.8571                 0.7161
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0175
 Beta2  Fr= 1--      0.3768                 0.4666                 0.5722
 AlphaG Fr= 1--      0.0022                 0.0000                 0.0019
 Gamma2 Fr= 1--     -1.5504                 0.1613                 0.9241
 Delta2 Fr= 1--      0.2170                 0.0879                 0.3706
 Raman1 Fr= 1--      10.597                 13.064                 19.177
 ROA1   Fr= 1--    -141.897                 18.295                100.572
 CID1   Fr= 1--     -13.391                  1.400                  5.244
 Raman2 Fr= 1--       4.522                  5.599                  6.866
 ROA2   Fr= 1--     -38.946                  3.167                 19.214
 CID2   Fr= 1--      -8.612                  0.566                  2.798
 Raman3 Fr= 1--       9.044                 11.198                 13.732
 ROA3   Fr= 1--    -141.897                 18.295                100.572
 CID3   Fr= 1--     -15.689                  1.634                  7.324
 RC180  Fr= 1--       0.707                  0.714                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.11  -0.10     0.15  -0.01   0.01     0.12  -0.00   0.00
     2   6    -0.02   0.04   0.09    -0.08   0.02   0.11    -0.12  -0.11  -0.04
     3   6     0.00   0.12   0.00    -0.09   0.00  -0.13    -0.00   0.09   0.00
     4   6     0.02  -0.01   0.03     0.01   0.05  -0.02    -0.14   0.08  -0.06
     5   6    -0.03   0.06  -0.04    -0.08   0.06  -0.01     0.01  -0.04  -0.04
     6   6    -0.06  -0.11   0.10     0.15   0.01   0.01    -0.12  -0.00  -0.00
     7   6     0.02   0.04  -0.09    -0.08  -0.02   0.11     0.12  -0.11   0.04
     8   6     0.03   0.06   0.04    -0.08  -0.06  -0.01    -0.01  -0.04   0.04
     9   6    -0.02  -0.01  -0.03     0.01  -0.05  -0.02     0.14   0.08   0.06
    10   1     0.14  -0.11  -0.40     0.11  -0.01   0.15     0.37  -0.11   0.14
    11   1     0.01  -0.39  -0.01     0.46   0.01  -0.07     0.09   0.17  -0.04
    12   1     0.04  -0.13   0.01     0.23  -0.05  -0.01    -0.17   0.07  -0.06
    13   1     0.01   0.03   0.07    -0.10   0.16  -0.17    -0.21   0.23  -0.03
    14   1     0.06  -0.01  -0.09    -0.01   0.06   0.07     0.20  -0.14  -0.01
    15   1    -0.11   0.20  -0.13    -0.21   0.06  -0.10     0.01   0.08  -0.07
    16   1    -0.01  -0.39   0.01     0.46  -0.01  -0.07    -0.09   0.17   0.04
    17   1    -0.14  -0.11   0.40     0.11   0.01   0.15    -0.37  -0.11  -0.14
    18   1    -0.06  -0.01   0.09    -0.01  -0.06   0.07    -0.20  -0.14   0.01
    19   1     0.11   0.20   0.13    -0.21  -0.06  -0.10    -0.01   0.08   0.07
    20   1    -0.04  -0.13  -0.01     0.23   0.05  -0.01     0.17   0.07   0.06
    21   1    -0.01   0.03  -0.07    -0.10  -0.16  -0.17     0.21   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    565.9291               624.9180               661.3826
 Red. masses --      3.3798                 3.0782                 2.8453
 Frc consts  --      0.6378                 0.7083                 0.7333
 IR Inten    --      0.2920                 0.3828                 0.1138
 RamAct Fr= 1--     23.0405                17.4802                11.9557
  Dep-P Fr= 1--      0.1733                 0.7500                 0.6794
  Dep-U Fr= 1--      0.2954                 0.8571                 0.8091
 Alpha2 Fr= 1--      0.3356                 0.0000                 0.0149
 Beta2  Fr= 1--      1.1342                 2.4972                 1.6122
 AlphaG Fr= 1--      0.0840                 0.0000                 0.0088
 Gamma2 Fr= 1--     -0.3327                -0.7197                 2.7719
 Delta2 Fr= 1--     -0.8998                 3.2672                -2.3838
 Raman1 Fr= 1--      92.162                 69.921                 47.823
 ROA1   Fr= 1--     -60.735                 35.460                189.820
 CID1   Fr= 1--      -0.659                  0.507                  3.969
 Raman2 Fr= 1--      13.611                 29.966                 19.346
 ROA2   Fr= 1--      -0.787                -43.410                 85.595
 CID2   Fr= 1--      -0.058                 -1.449                  4.424
 Raman3 Fr= 1--      27.222                 59.932                 38.692
 ROA3   Fr= 1--     -60.735                 35.460                189.820
 CID3   Fr= 1--      -2.231                  0.592                  4.906
 RC180  Fr= 1--      -0.409                  0.714                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.06  -0.12     0.11  -0.08   0.04    -0.14   0.08   0.01
     2   6     0.10   0.04  -0.15     0.04   0.01  -0.04    -0.09  -0.05   0.08
     3   6     0.00   0.15   0.00     0.13  -0.00   0.21     0.00   0.21   0.00
     4   6     0.06  -0.09  -0.01    -0.08   0.12  -0.01     0.02  -0.08   0.00
     5   6     0.13  -0.06   0.04    -0.10   0.05  -0.07     0.07  -0.05   0.06
     6   6    -0.12   0.06   0.12     0.11   0.08   0.04     0.14   0.08  -0.01
     7   6    -0.10   0.04   0.15     0.04  -0.01  -0.04     0.09  -0.05  -0.08
     8   6    -0.13  -0.06  -0.04    -0.10  -0.05  -0.07    -0.07  -0.05  -0.06
     9   6    -0.06  -0.09   0.01    -0.08  -0.12  -0.01    -0.02  -0.08  -0.00
    10   1     0.27   0.01  -0.19     0.32  -0.14  -0.15     0.01   0.03  -0.09
    11   1     0.03   0.09  -0.11    -0.18  -0.17   0.14    -0.38   0.10   0.06
    12   1    -0.15   0.05  -0.02    -0.25   0.21  -0.03     0.09  -0.23  -0.00
    13   1     0.19  -0.25   0.13    -0.04   0.07   0.05    -0.02   0.04   0.05
    14   1     0.02  -0.03  -0.02    -0.15   0.05  -0.13     0.35  -0.18   0.12
    15   1     0.27  -0.14   0.15    -0.09   0.11  -0.08    -0.04   0.08  -0.05
    16   1    -0.03   0.09   0.11    -0.18   0.17   0.14     0.38   0.10  -0.06
    17   1    -0.27   0.01   0.19     0.32   0.14  -0.15    -0.01   0.03   0.09
    18   1    -0.02  -0.03   0.02    -0.15  -0.05  -0.13    -0.35  -0.18  -0.12
    19   1    -0.27  -0.14  -0.15    -0.09  -0.11  -0.08     0.04   0.08   0.05
    20   1     0.15   0.05   0.02    -0.25  -0.21  -0.03    -0.09  -0.23   0.00
    21   1    -0.19  -0.25  -0.13    -0.04  -0.07   0.05     0.02   0.04  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    791.5430               795.9907               861.6292
 Red. masses --      1.0305                 1.0477                 1.4451
 Frc consts  --      0.3804                 0.3911                 0.6321
 IR Inten    --      0.1017                 0.0658                 0.7784
 RamAct Fr= 1--      1.1468                 1.1021                 3.6051
  Dep-P Fr= 1--      0.7500                 0.6332                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7754                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0000
 Beta2  Fr= 1--      0.1638                 0.1424                 0.5150
 AlphaG Fr= 1--      0.0000                 0.0101                 0.0000
 Gamma2 Fr= 1--      0.6002                -0.9153                -0.5922
 Delta2 Fr= 1--     -0.2305                 0.0499                -2.0983
 Raman1 Fr= 1--       4.587                  4.408                 14.420
 ROA1   Fr= 1--      50.243                -86.274               -123.994
 CID1   Fr= 1--      10.953                -19.571                 -8.598
 Raman2 Fr= 1--       1.966                  1.709                  6.180
 ROA2   Fr= 1--      16.248                -22.367                  2.574
 CID2   Fr= 1--       8.265                -13.086                  0.417
 Raman3 Fr= 1--       3.932                  3.418                 12.360
 ROA3   Fr= 1--      50.243                -86.274               -123.994
 CID3   Fr= 1--      12.778                -25.239                -10.032
 RC180  Fr= 1--       0.714                  0.551                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.00  -0.01     0.01   0.00   0.06
     2   6     0.00   0.00  -0.01     0.01   0.01  -0.02     0.04   0.03   0.02
     3   6     0.02  -0.00   0.01     0.00  -0.03   0.00    -0.01   0.00  -0.00
     4   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.07   0.01  -0.02
     5   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.04  -0.06  -0.05
     6   6     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.06
     7   6     0.00  -0.00  -0.01    -0.01   0.01   0.02     0.04  -0.03   0.02
     8   6     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.04   0.06  -0.05
     9   6     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.07  -0.01  -0.02
    10   1     0.02   0.01  -0.04    -0.03   0.02  -0.00    -0.25   0.13  -0.15
    11   1    -0.06   0.02   0.00     0.04   0.01  -0.02     0.16  -0.30   0.11
    12   1    -0.14  -0.31  -0.07    -0.14  -0.31  -0.07     0.08  -0.01  -0.01
    13   1    -0.02   0.22   0.28    -0.02   0.22   0.27    -0.17   0.16  -0.12
    14   1     0.09   0.12   0.31     0.05   0.16   0.31    -0.16   0.10   0.04
    15   1    -0.26  -0.21  -0.12    -0.23  -0.25  -0.10     0.15  -0.30   0.09
    16   1    -0.06  -0.02   0.00    -0.04   0.01   0.02     0.16   0.31   0.11
    17   1     0.02  -0.01  -0.04     0.03   0.02   0.00    -0.26  -0.13  -0.16
    18   1     0.09  -0.12   0.31    -0.05   0.16  -0.31    -0.16  -0.10   0.04
    19   1    -0.26   0.21  -0.12     0.23  -0.25   0.10     0.16   0.31   0.09
    20   1    -0.14   0.31  -0.07     0.14  -0.31   0.07     0.09   0.01  -0.01
    21   1    -0.02  -0.22   0.28     0.02   0.22  -0.27    -0.18  -0.16  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.0283               876.7302               906.4135
 Red. masses --      1.5158                 1.6655                 2.7703
 Frc consts  --      0.6636                 0.7543                 1.3410
 IR Inten    --      0.5356                 3.5676                14.6226
 RamAct Fr= 1--      8.9929                 8.6305                 2.7481
  Dep-P Fr= 1--      0.7215                 0.7500                 0.7290
  Dep-U Fr= 1--      0.8382                 0.8571                 0.8432
 Alpha2 Fr= 1--      0.0044                 0.0000                 0.0010
 Beta2  Fr= 1--      1.2563                 1.2329                 0.3862
 AlphaG Fr= 1--      0.0107                -0.0000                 0.0053
 Gamma2 Fr= 1--     -4.6681                -0.8318                 6.2168
 Delta2 Fr= 1--     -2.0045                -1.2055                 3.3085
 Raman1 Fr= 1--      35.972                 34.522                 10.992
 ROA1   Fr= 1--    -512.282               -118.424                702.686
 CID1   Fr= 1--     -14.241                 -3.430                 63.926
 Raman2 Fr= 1--      15.076                 14.795                  4.634
 ROA2   Fr= 1--     -95.999                -10.318                122.735
 CID2   Fr= 1--      -6.368                 -0.697                 26.483
 Raman3 Fr= 1--      30.152                 29.590                  9.269
 ROA3   Fr= 1--    -512.282               -118.424                702.686
 CID3   Fr= 1--     -16.990                 -4.002                 75.811
 RC180  Fr= 1--       0.676                  0.714                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.01    -0.04  -0.12   0.05     0.02   0.03  -0.17
     2   6     0.01  -0.04  -0.04     0.06   0.00  -0.02    -0.11  -0.00  -0.02
     3   6     0.00   0.01   0.00    -0.06   0.00  -0.03     0.00  -0.14   0.00
     4   6     0.09   0.03   0.03     0.02   0.05  -0.02     0.01  -0.09   0.00
     5   6    -0.06   0.05   0.01    -0.01  -0.03  -0.03     0.01   0.10   0.09
     6   6     0.02  -0.06  -0.01    -0.04   0.12   0.05    -0.02   0.03   0.17
     7   6    -0.01  -0.04   0.04     0.06  -0.00  -0.02     0.11  -0.00   0.02
     8   6     0.05   0.05  -0.01    -0.01   0.03  -0.03    -0.01   0.10  -0.09
     9   6    -0.09   0.03  -0.03     0.02  -0.05  -0.02    -0.01  -0.09  -0.00
    10   1     0.25  -0.18   0.21    -0.23  -0.08   0.42    -0.11   0.04   0.20
    11   1    -0.21   0.26  -0.03     0.26   0.13  -0.09     0.22   0.28  -0.29
    12   1    -0.18   0.04  -0.00    -0.25   0.10  -0.04     0.18  -0.14   0.02
    13   1     0.24  -0.15   0.22     0.15  -0.07   0.18    -0.09  -0.01  -0.14
    14   1     0.06  -0.03  -0.03    -0.02  -0.01   0.00     0.10   0.01   0.02
    15   1    -0.16   0.19  -0.09    -0.01  -0.06  -0.03    -0.08   0.24   0.00
    16   1     0.20   0.25   0.03     0.26  -0.13  -0.09    -0.22   0.28   0.29
    17   1    -0.24  -0.18  -0.21    -0.23   0.08   0.42     0.11   0.04  -0.20
    18   1    -0.05  -0.03   0.03    -0.02   0.01   0.00    -0.10   0.01  -0.02
    19   1     0.16   0.18   0.09    -0.01   0.06  -0.03     0.08   0.24  -0.00
    20   1     0.18   0.04   0.00    -0.25  -0.10  -0.04    -0.18  -0.14  -0.02
    21   1    -0.23  -0.14  -0.22     0.15   0.07   0.18     0.09  -0.01   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --    928.4293               933.5933               966.3067
 Red. masses --      2.0379                 3.5645                 1.3546
 Frc consts  --      1.0350                 1.8305                 0.7453
 IR Inten    --      5.4253                23.0296                 0.8269
 RamAct Fr= 1--      0.2233                 2.2084                 3.7966
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7237
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8397
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0017
 Beta2  Fr= 1--      0.0319                 0.3155                 0.5313
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0078
 Gamma2 Fr= 1--      0.6500                 2.3207                -1.6429
 Delta2 Fr= 1--      0.0406                 1.0820                -0.8085
 Raman1 Fr= 1--       0.893                  8.834                 15.187
 ROA1   Fr= 1--      63.696                257.414               -183.594
 CID1   Fr= 1--      71.316                 29.140                -12.089
 Raman2 Fr= 1--       0.383                  3.786                  6.376
 ROA2   Fr= 1--      15.275                 47.042                -32.963
 CID2   Fr= 1--      39.905                 12.426                 -5.170
 Raman3 Fr= 1--       0.766                  7.572                 12.752
 ROA3   Fr= 1--      63.696                257.414               -183.594
 CID3   Fr= 1--      83.202                 33.997                -14.397
 RC180  Fr= 1--       0.714                  0.714                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.05    -0.08   0.03  -0.02    -0.00  -0.00   0.00
     2   6     0.03   0.03   0.10     0.06  -0.14   0.02    -0.02  -0.05  -0.04
     3   6     0.10   0.00   0.02     0.07  -0.00  -0.11    -0.00   0.03  -0.00
     4   6    -0.04   0.04  -0.04     0.08   0.11   0.18     0.01  -0.01   0.08
     5   6    -0.03  -0.13   0.01    -0.08  -0.07  -0.12     0.01   0.05  -0.04
     6   6    -0.00  -0.07  -0.05    -0.08  -0.03  -0.02     0.00  -0.00  -0.00
     7   6     0.03  -0.03   0.10     0.06   0.14   0.02     0.02  -0.05   0.04
     8   6    -0.03   0.13   0.01    -0.08   0.07  -0.12    -0.01   0.05   0.04
     9   6    -0.04  -0.04  -0.04     0.08  -0.11   0.18    -0.01  -0.01  -0.08
    10   1    -0.18   0.14  -0.04     0.02  -0.01  -0.00     0.21  -0.09  -0.03
    11   1     0.11   0.00  -0.06    -0.14   0.10  -0.03    -0.21   0.07   0.03
    12   1    -0.17   0.15  -0.03     0.34   0.02   0.20     0.32  -0.16   0.09
    13   1    -0.01   0.02   0.05    -0.07   0.29  -0.02    -0.13   0.15  -0.13
    14   1     0.33  -0.35  -0.02    -0.21  -0.02  -0.14    -0.26   0.21  -0.02
    15   1    -0.16   0.21  -0.17    -0.09  -0.15  -0.11     0.15  -0.21   0.12
    16   1     0.11  -0.00  -0.06    -0.14  -0.10  -0.03     0.21   0.07  -0.03
    17   1    -0.18  -0.14  -0.04     0.02   0.01  -0.00    -0.21  -0.09   0.03
    18   1     0.33   0.35  -0.02    -0.21   0.01  -0.14     0.26   0.21   0.02
    19   1    -0.16  -0.21  -0.17    -0.09   0.15  -0.11    -0.15  -0.21  -0.11
    20   1    -0.17  -0.15  -0.03     0.34  -0.02   0.20    -0.31  -0.16  -0.09
    21   1    -0.01  -0.02   0.05    -0.07  -0.29  -0.02     0.13   0.15   0.13
                     22                     23                     24
                      A                      A                      A
 Frequencies --    994.6179              1011.5672              1034.3408
 Red. masses --      2.8669                 1.2651                 1.2653
 Frc consts  --      1.6710                 0.7627                 0.7976
 IR Inten    --      2.9611                 1.9409                 5.3207
 RamAct Fr= 1--     60.7333                 0.7588                 3.8824
  Dep-P Fr= 1--      0.0299                 0.7500                 0.5160
  Dep-U Fr= 1--      0.0581                 0.8571                 0.6807
 Alpha2 Fr= 1--      1.2582                 0.0000                 0.0178
 Beta2  Fr= 1--      0.5880                 0.1084                 0.4405
 AlphaG Fr= 1--      0.0840                -0.0000                 0.0135
 Gamma2 Fr= 1--     -2.3824                -1.0834                -1.5557
 Delta2 Fr= 1--     -0.4407                -0.4058                -1.1107
 Raman1 Fr= 1--     242.933                  3.035                 15.530
 ROA1   Fr= 1--    -242.807               -116.992               -184.888
 CID1   Fr= 1--      -0.999                -38.544                -11.906
 Raman2 Fr= 1--       7.056                  1.301                  5.286
 ROA2   Fr= 1--     -53.651                -22.755                -28.451
 CID2   Fr= 1--      -7.603                -17.493                 -5.383
 Raman3 Fr= 1--      14.113                  2.602                 10.572
 ROA3   Fr= 1--    -242.807               -116.992               -184.888
 CID3   Fr= 1--     -17.205                -44.968                -17.489
 RC180  Fr= 1--      -0.884                  0.714                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.08   0.12    -0.05   0.04   0.03    -0.05   0.01  -0.02
     2   6    -0.05   0.05  -0.03     0.01   0.00   0.01     0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00    -0.03  -0.00  -0.03    -0.00   0.02   0.00
     4   6    -0.08  -0.08  -0.13     0.00   0.05  -0.00    -0.01   0.06   0.02
     5   6     0.04   0.14   0.07    -0.04  -0.01  -0.04    -0.05  -0.01  -0.04
     6   6     0.00  -0.08  -0.12    -0.05  -0.04   0.03     0.05   0.01   0.02
     7   6     0.05   0.05   0.03     0.01  -0.00   0.01    -0.00  -0.01   0.00
     8   6    -0.04   0.14  -0.07    -0.04   0.01  -0.04     0.05  -0.01   0.04
     9   6     0.08  -0.08   0.13     0.00  -0.05  -0.00     0.01   0.06  -0.02
    10   1     0.13  -0.12   0.04     0.34  -0.10  -0.14     0.09  -0.06   0.06
    11   1    -0.09  -0.15   0.17     0.22  -0.18   0.03     0.31  -0.05  -0.08
    12   1    -0.15  -0.17  -0.16     0.01  -0.15  -0.03     0.15  -0.27  -0.01
    13   1     0.04  -0.28  -0.07     0.20  -0.28   0.07     0.15  -0.26  -0.01
    14   1     0.03   0.21   0.17     0.20  -0.05   0.14     0.24  -0.07   0.16
    15   1     0.20   0.03   0.21     0.18  -0.07   0.12     0.25  -0.07   0.16
    16   1     0.09  -0.15  -0.17     0.22   0.18   0.03    -0.31  -0.05   0.08
    17   1    -0.13  -0.12  -0.04     0.34   0.10  -0.14    -0.09  -0.06  -0.06
    18   1    -0.03   0.21  -0.17     0.20   0.05   0.14    -0.24  -0.07  -0.16
    19   1    -0.20   0.03  -0.21     0.18   0.07   0.12    -0.25  -0.07  -0.16
    20   1     0.15  -0.17   0.16     0.01   0.15  -0.03    -0.15  -0.27   0.01
    21   1    -0.04  -0.28   0.06     0.20   0.28   0.07    -0.15  -0.26   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1055.9424              1064.6377              1073.8942
 Red. masses --      1.3134                 1.5742                 1.3349
 Frc consts  --      0.8628                 1.0512                 0.9070
 IR Inten    --      6.3927                 2.2464                 0.3236
 RamAct Fr= 1--      3.0779                 1.3068                 3.7913
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7017
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8247
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0032
 Beta2  Fr= 1--      0.4397                 0.1867                 0.5211
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0295
 Gamma2 Fr= 1--      0.0075                 1.2537                 0.4521
 Delta2 Fr= 1--      2.1819                 0.4614                -0.5135
 Raman1 Fr= 1--      12.312                  5.227                 15.165
 ROA1   Fr= 1--      70.538                135.118                 26.971
 CID1   Fr= 1--       5.729                 25.849                  1.779
 Raman2 Fr= 1--       5.276                  2.240                  6.253
 ROA2   Fr= 1--     -17.277                 26.397                 14.959
 CID2   Fr= 1--      -3.274                 11.783                  2.392
 Raman3 Fr= 1--      10.553                  4.481                 12.506
 ROA3   Fr= 1--      70.538                135.118                 26.971
 CID3   Fr= 1--       6.684                 30.157                  2.157
 RC180  Fr= 1--       0.714                  0.714                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.04    -0.09  -0.01  -0.06     0.10  -0.02  -0.01
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.02     0.00  -0.00   0.00
     3   6    -0.05  -0.00  -0.05     0.08  -0.00   0.11     0.00  -0.01   0.00
     4   6     0.05  -0.02  -0.01    -0.04  -0.04  -0.01    -0.02   0.05   0.00
     5   6     0.04  -0.02   0.03     0.03   0.00   0.00    -0.02  -0.01  -0.01
     6   6    -0.03  -0.04   0.04    -0.09   0.01  -0.06    -0.10  -0.02   0.01
     7   6    -0.01   0.01  -0.00     0.01  -0.04   0.02    -0.00  -0.00  -0.00
     8   6     0.04   0.02   0.03     0.03  -0.00   0.00     0.02  -0.01   0.01
     9   6     0.05   0.02  -0.01    -0.04   0.04  -0.01     0.02   0.05  -0.00
    10   1     0.21  -0.03  -0.18     0.31  -0.19   0.18    -0.36   0.16   0.00
    11   1     0.15  -0.19   0.06     0.36   0.11  -0.20    -0.44   0.14   0.07
    12   1    -0.22   0.31   0.00     0.08  -0.03   0.01     0.10  -0.20  -0.01
    13   1     0.03   0.10   0.13    -0.19   0.22  -0.08     0.08  -0.18  -0.03
    14   1    -0.22   0.03  -0.16    -0.14   0.06  -0.06     0.10  -0.04   0.06
    15   1    -0.25   0.02  -0.18     0.04  -0.05   0.02     0.07   0.02   0.04
    16   1     0.15   0.19   0.06     0.36  -0.11  -0.20     0.44   0.14  -0.07
    17   1     0.21   0.03  -0.18     0.31   0.19   0.18     0.36   0.16  -0.00
    18   1    -0.22  -0.03  -0.16    -0.14  -0.06  -0.06    -0.10  -0.04  -0.06
    19   1    -0.25  -0.02  -0.18     0.04   0.05   0.02    -0.07   0.02  -0.04
    20   1    -0.22  -0.31   0.00     0.08   0.03   0.01    -0.10  -0.20   0.01
    21   1     0.03  -0.10   0.13    -0.19  -0.22  -0.08    -0.08  -0.18   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1078.8696              1079.4291              1105.0154
 Red. masses --      1.4365                 1.4228                 1.7863
 Frc consts  --      0.9851                 0.9768                 1.2851
 IR Inten    --      0.5532                 0.7807                 3.7244
 RamAct Fr= 1--      0.4622                 1.3450                 1.1877
  Dep-P Fr= 1--      0.7500                 0.7349                 0.4719
  Dep-U Fr= 1--      0.8571                 0.8472                 0.6413
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0066
 Beta2  Fr= 1--      0.0660                 0.1899                 0.1269
 AlphaG Fr= 1--     -0.0000                 0.0033                -0.0052
 Gamma2 Fr= 1--      0.1571                 0.0707                 1.4138
 Delta2 Fr= 1--     -0.2297                -0.4677                -0.2789
 Raman1 Fr= 1--       1.849                  5.380                  4.751
 ROA1   Fr= 1--       7.731                 -8.176                126.800
 CID1   Fr= 1--       4.181                 -1.520                 26.689
 Raman2 Fr= 1--       0.792                  2.279                  1.523
 ROA2   Fr= 1--       5.608                  5.439                 36.162
 CID2   Fr= 1--       7.078                  2.387                 23.740
 Raman3 Fr= 1--       1.585                  4.558                  3.047
 ROA3   Fr= 1--       7.731                 -8.176                126.800
 CID3   Fr= 1--       4.878                 -1.794                 41.621
 RC180  Fr= 1--       0.714                  0.694                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.02  -0.01  -0.00    -0.03  -0.11  -0.03
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.03   0.06
     3   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00   0.17   0.00
     4   6    -0.06   0.08  -0.01     0.06  -0.07   0.01    -0.00   0.00  -0.02
     5   6     0.08  -0.03   0.04    -0.08   0.03  -0.05     0.04  -0.02  -0.02
     6   6    -0.00   0.00  -0.00    -0.02  -0.01   0.00     0.03  -0.11   0.03
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.03  -0.06
     8   6     0.08   0.03   0.04     0.08   0.03   0.05    -0.04  -0.02   0.02
     9   6    -0.06  -0.08  -0.01    -0.06  -0.07  -0.01     0.00   0.00   0.02
    10   1    -0.00  -0.01   0.02    -0.10   0.04   0.01    -0.30  -0.05   0.39
    11   1    -0.01   0.02  -0.01    -0.06   0.02   0.01     0.14   0.23  -0.17
    12   1     0.18  -0.33  -0.03    -0.15   0.28   0.03    -0.06   0.02  -0.02
    13   1     0.14  -0.31  -0.03    -0.13   0.28   0.02    -0.00   0.04   0.05
    14   1    -0.28   0.05  -0.18     0.29  -0.05   0.20    -0.23   0.10  -0.09
    15   1    -0.25   0.05  -0.19     0.30  -0.06   0.22     0.10  -0.15   0.05
    16   1    -0.01  -0.02  -0.01     0.06   0.02  -0.01    -0.14   0.23   0.17
    17   1    -0.00   0.01   0.02     0.10   0.04  -0.01     0.30  -0.05  -0.39
    18   1    -0.28  -0.05  -0.18    -0.29  -0.05  -0.20     0.23   0.10   0.09
    19   1    -0.25  -0.05  -0.19    -0.30  -0.06  -0.22    -0.10  -0.15  -0.05
    20   1     0.18   0.33  -0.03     0.15   0.28  -0.03     0.06   0.02   0.02
    21   1     0.14   0.31  -0.03     0.13   0.28  -0.02     0.00   0.04  -0.05
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1121.5264              1131.0435              1170.6962
 Red. masses --      1.8731                 2.1068                 1.7698
 Frc consts  --      1.3881                 1.5879                 1.4291
 IR Inten    --      1.0555                 0.5233                 3.5380
 RamAct Fr= 1--      0.5504                 3.7409                 1.0318
  Dep-P Fr= 1--      0.7500                 0.7491                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0786                 0.5341                 0.1474
 AlphaG Fr= 1--      0.0000                -0.0089                 0.0000
 Gamma2 Fr= 1--     -1.6857                -0.3504                -0.3972
 Delta2 Fr= 1--     -0.9105                 0.6059                 1.2309
 Raman1 Fr= 1--       2.202                 14.964                  4.127
 ROA1   Fr= 1--    -190.963                -14.253                  1.253
 CID1   Fr= 1--     -86.733                 -0.952                  0.304
 Raman2 Fr= 1--       0.944                  6.409                  1.769
 ROA2   Fr= 1--     -33.172                -13.258                -19.381
 CID2   Fr= 1--     -35.155                 -2.069                -10.958
 Raman3 Fr= 1--       1.887                 12.817                  3.537
 ROA3   Fr= 1--    -190.963                -14.253                  1.253
 CID3   Fr= 1--    -101.189                 -1.112                  0.354
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.02    -0.02  -0.02  -0.05    -0.03  -0.04   0.06
     2   6    -0.02  -0.10  -0.12     0.08   0.14   0.09     0.09   0.06  -0.06
     3   6     0.08  -0.00   0.08    -0.00  -0.11  -0.00    -0.02  -0.00  -0.09
     4   6     0.01  -0.01   0.03    -0.06  -0.01  -0.03    -0.07  -0.04   0.05
     5   6    -0.03   0.06   0.04    -0.00  -0.06  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.03   0.02     0.02  -0.02   0.05    -0.03   0.04   0.06
     7   6    -0.02   0.10  -0.12    -0.08   0.14  -0.09     0.09  -0.06  -0.06
     8   6    -0.03  -0.06   0.04     0.00  -0.06   0.01     0.01  -0.01   0.00
     9   6     0.01   0.01   0.03     0.06  -0.01   0.03    -0.07   0.04   0.05
    10   1    -0.30   0.14  -0.03     0.42  -0.21   0.09     0.16  -0.11   0.01
    11   1     0.45  -0.26  -0.01    -0.29   0.27  -0.06    -0.08  -0.01   0.07
    12   1     0.08  -0.09   0.02     0.06  -0.08  -0.02     0.19   0.11   0.10
    13   1    -0.02  -0.01  -0.06    -0.13   0.12  -0.05    -0.16  -0.05  -0.25
    14   1     0.11  -0.03   0.03     0.07  -0.08   0.02     0.29  -0.04   0.20
    15   1    -0.12   0.18  -0.04     0.09   0.02   0.03    -0.30   0.09  -0.22
    16   1     0.45   0.26  -0.01     0.28   0.26   0.06    -0.08   0.02   0.07
    17   1    -0.30  -0.14  -0.03    -0.42  -0.21  -0.09     0.16   0.11   0.01
    18   1     0.11   0.03   0.03    -0.07  -0.08  -0.02     0.29   0.04   0.20
    19   1    -0.12  -0.18  -0.04    -0.09   0.02  -0.03    -0.30  -0.09  -0.22
    20   1     0.08   0.09   0.02    -0.06  -0.08   0.02     0.19  -0.11   0.10
    21   1    -0.02   0.01  -0.06     0.13   0.12   0.05    -0.16   0.05  -0.25
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1178.5041              1178.5411              1188.2199
 Red. masses --      1.3389                 1.5148                 2.0825
 Frc consts  --      1.0956                 1.2396                 1.7324
 IR Inten    --      0.3003                 1.2186                 1.9474
 RamAct Fr= 1--      0.8663                 0.0526                 1.4564
  Dep-P Fr= 1--      0.6354                 0.7104                 0.4140
  Dep-U Fr= 1--      0.7771                 0.8307                 0.5856
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0103
 Beta2  Fr= 1--      0.1122                 0.0073                 0.1421
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0301
 Gamma2 Fr= 1--     -0.3817                 0.1807                 0.2189
 Delta2 Fr= 1--     -0.1552                -0.0647                 0.0170
 Raman1 Fr= 1--       3.465                  0.210                  5.826
 ROA1   Fr= 1--     -41.606                 15.281                 21.553
 CID1   Fr= 1--     -12.007                 72.681                  3.700
 Raman2 Fr= 1--       1.346                  0.087                  1.706
 ROA2   Fr= 1--      -7.918                  4.855                  5.117
 CID2   Fr= 1--      -5.881                 55.597                  3.000
 Raman3 Fr= 1--       2.693                  0.175                  3.411
 ROA3   Fr= 1--     -41.606                 15.281                 21.553
 CID3   Fr= 1--     -15.452                 87.496                  6.318
 RC180  Fr= 1--       0.554                  0.661                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02    -0.01  -0.01   0.04    -0.01  -0.07   0.05
     2   6    -0.03  -0.00   0.04     0.05   0.03  -0.03     0.10   0.05  -0.13
     3   6     0.00  -0.01   0.01    -0.03  -0.00  -0.07     0.00   0.10  -0.00
     4   6    -0.04  -0.02   0.05     0.02   0.01  -0.04    -0.05  -0.04   0.06
     5   6     0.06   0.03  -0.08    -0.05  -0.03   0.07    -0.01   0.00   0.02
     6   6     0.00   0.00   0.01    -0.01   0.02   0.05     0.01  -0.07  -0.05
     7   6     0.01   0.00  -0.03     0.06  -0.03  -0.05    -0.10   0.05   0.13
     8   6    -0.05   0.02   0.06    -0.06   0.03   0.09     0.01   0.00  -0.02
     9   6     0.04  -0.02  -0.04     0.03  -0.01  -0.05     0.05  -0.04  -0.06
    10   1     0.03  -0.01   0.02     0.08  -0.04  -0.03    -0.12  -0.03   0.10
    11   1    -0.04   0.05  -0.03    -0.06  -0.03   0.06     0.11   0.01  -0.00
    12   1    -0.03   0.39   0.11     0.06  -0.29  -0.07     0.27  -0.03   0.10
    13   1     0.07  -0.37  -0.16    -0.09   0.29   0.08    -0.21   0.10  -0.22
    14   1     0.14   0.18   0.29    -0.04  -0.17  -0.18     0.28  -0.12   0.12
    15   1    -0.19  -0.25  -0.18     0.10   0.23   0.10    -0.26   0.16  -0.18
    16   1     0.06   0.04   0.01    -0.05   0.05   0.07    -0.11   0.01   0.00
    17   1    -0.05  -0.02  -0.01     0.07   0.04  -0.03     0.12  -0.03  -0.10
    18   1    -0.12   0.13  -0.23    -0.07   0.21  -0.26    -0.28  -0.12  -0.12
    19   1     0.16  -0.18   0.14     0.15  -0.29   0.15     0.26   0.16   0.18
    20   1     0.02   0.30  -0.09     0.06   0.39  -0.10    -0.27  -0.03  -0.10
    21   1    -0.05  -0.28   0.13    -0.11  -0.39   0.12     0.21   0.10   0.22
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1249.0794              1424.4106              1453.8704
 Red. masses --      4.4486                 1.4867                 1.1026
 Frc consts  --      4.0894                 1.7772                 1.3732
 IR Inten    --      1.2360                 0.3157                 0.9698
 RamAct Fr= 1--      2.6395                12.4671                14.3330
  Dep-P Fr= 1--      0.7500                 0.3322                 0.7500
  Dep-U Fr= 1--      0.8571                 0.4987                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1159                 0.0000
 Beta2  Fr= 1--      0.3771                 1.0362                 2.0476
 AlphaG Fr= 1--      0.0000                 0.0440                -0.0000
 Gamma2 Fr= 1--      2.2216                 6.2095                -6.7897
 Delta2 Fr= 1--      1.6320                 1.4401                -2.3167
 Raman1 Fr= 1--      10.558                 49.868                 57.332
 ROA1   Fr= 1--     265.496                642.194               -725.949
 CID1   Fr= 1--      25.147                 12.878                -12.662
 Raman2 Fr= 1--       4.525                 12.434                 24.571
 ROA2   Fr= 1--      40.262                137.506               -144.419
 CID2   Fr= 1--       8.898                 11.059                 -5.878
 Raman3 Fr= 1--       9.050                 24.868                 49.142
 ROA3   Fr= 1--     265.496                642.194               -725.949
 CID3   Fr= 1--      29.338                 25.824                -14.773
 RC180  Fr= 1--       0.714                 -0.003                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.05     0.02  -0.00  -0.00     0.00   0.03  -0.04
     2   6     0.07  -0.15   0.14    -0.10   0.09  -0.05    -0.02   0.02  -0.01
     3   6     0.27   0.00  -0.24    -0.00  -0.03   0.00     0.04   0.00  -0.02
     4   6    -0.08  -0.03  -0.11     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.00   0.13   0.03     0.01  -0.02  -0.00     0.00   0.01   0.01
     6   6    -0.08  -0.00   0.05    -0.02  -0.00   0.00     0.00  -0.03  -0.04
     7   6     0.07   0.15   0.14     0.10   0.09   0.05    -0.02  -0.02  -0.01
     8   6    -0.00  -0.13   0.03    -0.01  -0.02   0.00     0.00  -0.01   0.01
     9   6    -0.08   0.03  -0.11    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.09     0.03  -0.05   0.29     0.05  -0.06   0.46
    11   1    -0.12  -0.07   0.09    -0.09  -0.27   0.11    -0.14  -0.42   0.14
    12   1    -0.31  -0.03  -0.15     0.25   0.11   0.07     0.08   0.03   0.02
    13   1    -0.06  -0.11  -0.14     0.09   0.02   0.26     0.02   0.01   0.08
    14   1    -0.15   0.27   0.12     0.10  -0.18  -0.17     0.05  -0.08  -0.10
    15   1     0.07   0.17   0.09    -0.05  -0.26   0.01    -0.04  -0.13   0.01
    16   1    -0.12   0.07   0.09     0.09  -0.27  -0.11    -0.14   0.42   0.14
    17   1    -0.03   0.03   0.09    -0.03  -0.05  -0.29     0.05   0.06   0.46
    18   1    -0.15  -0.27   0.12    -0.10  -0.18   0.17     0.05   0.08  -0.10
    19   1     0.07  -0.17   0.09     0.05  -0.26  -0.01    -0.04   0.13   0.01
    20   1    -0.31   0.03  -0.15    -0.25   0.11  -0.07     0.08  -0.03   0.02
    21   1    -0.06   0.11  -0.14    -0.09   0.02  -0.26     0.02  -0.01   0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1466.5217              1467.0641              1480.7037
 Red. masses --      1.0899                 1.0894                 1.1590
 Frc consts  --      1.3811                 1.3815                 1.4972
 IR Inten    --      1.5572                 1.7148                 0.0285
 RamAct Fr= 1--      3.0906                18.5821                 5.2791
  Dep-P Fr= 1--      0.7500                 0.7460                 0.4896
  Dep-U Fr= 1--      0.8571                 0.8545                 0.6573
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0273
 Beta2  Fr= 1--      0.4415                 2.6464                 0.5783
 AlphaG Fr= 1--      0.0000                 0.0240                -0.0477
 Gamma2 Fr= 1--      2.0969                -0.1383                -0.3907
 Delta2 Fr= 1--     -0.3460                 2.2066                -0.1925
 Raman1 Fr= 1--      12.362                 74.328                 21.116
 ROA1   Fr= 1--     190.230                 57.333                -43.669
 CID1   Fr= 1--      15.388                  0.771                 -2.068
 Raman2 Fr= 1--       5.298                 31.757                  6.940
 ROA2   Fr= 1--      53.094                -20.972                 -7.837
 CID2   Fr= 1--      10.021                 -0.660                 -1.129
 Raman3 Fr= 1--      10.596                 63.514                 13.880
 ROA3   Fr= 1--     190.230                 57.333                -43.669
 CID3   Fr= 1--      17.953                  0.903                 -3.146
 RC180  Fr= 1--       0.714                  0.709                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.04   0.05
     2   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.03   0.02  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.02   0.00
     4   6    -0.03  -0.02  -0.03    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02    -0.00  -0.04  -0.02    -0.00   0.01   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.04  -0.05
     7   6    -0.00   0.00  -0.01     0.00  -0.01   0.01     0.03   0.02   0.00
     8   6    -0.00   0.04  -0.02     0.00  -0.04   0.02     0.00   0.01  -0.00
     9   6    -0.03   0.02  -0.03     0.03  -0.02   0.03     0.01  -0.00   0.01
    10   1    -0.00  -0.00   0.03    -0.01   0.00   0.01    -0.03   0.03  -0.43
    11   1    -0.00  -0.03   0.01     0.00  -0.02   0.00     0.13   0.39  -0.11
    12   1     0.32   0.17   0.05     0.30   0.16   0.05     0.17   0.08   0.03
    13   1     0.08   0.02   0.35     0.07   0.02   0.33     0.06  -0.01   0.19
    14   1    -0.12   0.19   0.25    -0.14   0.20   0.27     0.07  -0.09  -0.11
    15   1     0.10   0.32  -0.03     0.10   0.35  -0.04    -0.03  -0.16   0.03
    16   1    -0.00   0.03   0.01    -0.00  -0.02  -0.00    -0.13   0.39   0.11
    17   1    -0.00   0.00   0.04     0.01   0.00  -0.01     0.03   0.03   0.43
    18   1    -0.13  -0.19   0.26     0.14   0.20  -0.27    -0.07  -0.09   0.11
    19   1     0.10  -0.32  -0.03    -0.10   0.34   0.04     0.03  -0.16  -0.03
    20   1     0.32  -0.17   0.05    -0.30   0.16  -0.04    -0.17   0.08  -0.03
    21   1     0.08  -0.02   0.36    -0.07   0.02  -0.33    -0.06  -0.01  -0.19
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1492.7743              1536.1198              1653.5693
 Red. masses --      1.2224                 2.6872                 9.3190
 Frc consts  --      1.6050                 3.7360                15.0129
 IR Inten    --      0.7508                 0.0817                 0.3581
 RamAct Fr= 1--      0.3138                 5.3859                 3.0139
  Dep-P Fr= 1--      0.7500                 0.2085                 0.7500
  Dep-U Fr= 1--      0.8571                 0.3451                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0715                 0.0000
 Beta2  Fr= 1--      0.0448                 0.3098                 0.4306
 AlphaG Fr= 1--      0.0000                -0.0849                -0.0000
 Gamma2 Fr= 1--      0.0264                 0.5660                -0.4325
 Delta2 Fr= 1--      0.0102                -0.1633                 1.9007
 Raman1 Fr= 1--       1.255                 21.544                 12.056
 ROA1   Fr= 1--       2.860                 49.106                 19.303
 CID1   Fr= 1--       2.279                  2.279                  1.601
 Raman2 Fr= 1--       0.538                  3.717                  5.167
 ROA2   Fr= 1--       0.552                 14.890                -25.585
 CID2   Fr= 1--       1.026                  4.006                 -4.952
 Raman3 Fr= 1--       1.076                  7.434                 10.333
 ROA3   Fr= 1--       2.860                 49.106                 19.303
 CID3   Fr= 1--       2.658                  6.606                  1.868
 RC180  Fr= 1--       0.714                 -0.310                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03     0.00  -0.05   0.05    -0.03  -0.12   0.15
     2   6     0.00   0.01  -0.01    -0.15   0.12  -0.06    -0.33   0.23  -0.08
     3   6    -0.05  -0.00   0.02    -0.00  -0.03   0.00     0.48   0.00  -0.21
     4   6     0.04   0.01   0.04     0.09   0.02   0.08     0.09   0.02   0.08
     5   6     0.01  -0.06  -0.02     0.02  -0.11  -0.04     0.03  -0.11  -0.04
     6   6     0.01  -0.02  -0.03    -0.00  -0.05  -0.05    -0.03   0.12   0.15
     7   6     0.00  -0.01  -0.01     0.15   0.12   0.06    -0.33  -0.23  -0.08
     8   6     0.01   0.06  -0.02    -0.02  -0.11   0.04     0.03   0.11  -0.04
     9   6     0.04  -0.01   0.04    -0.09   0.02  -0.08     0.09  -0.02   0.08
    10   1     0.04  -0.01   0.16     0.00  -0.03  -0.14    -0.07  -0.08  -0.14
    11   1    -0.04  -0.15   0.04     0.07   0.12  -0.01     0.07   0.16   0.06
    12   1    -0.29  -0.14  -0.03    -0.27  -0.14   0.01    -0.09  -0.07   0.05
    13   1    -0.07  -0.00  -0.32    -0.01  -0.00  -0.31     0.06  -0.01  -0.10
    14   1    -0.14   0.18   0.25    -0.14   0.13   0.25    -0.06   0.00   0.11
    15   1     0.09   0.32  -0.05     0.12   0.28  -0.07     0.09   0.06  -0.04
    16   1    -0.04   0.15   0.04    -0.07   0.12   0.01     0.07  -0.16   0.06
    17   1     0.04   0.01   0.16    -0.00  -0.03   0.14    -0.07   0.08  -0.14
    18   1    -0.14  -0.18   0.25     0.14   0.13  -0.25    -0.06  -0.00   0.11
    19   1     0.09  -0.32  -0.05    -0.12   0.28   0.07     0.09  -0.06  -0.04
    20   1    -0.29   0.14  -0.03     0.27  -0.14  -0.01    -0.09   0.07   0.05
    21   1    -0.07   0.00  -0.32     0.01  -0.00   0.31     0.06   0.01  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3099.5500              3099.6413              3115.5248
 Red. masses --      1.0520                 1.0517                 1.0498
 Frc consts  --      5.9550                 5.9532                 6.0039
 IR Inten    --     32.9646                19.6260                35.9282
 RamAct Fr= 1--     29.5478               346.3208                26.1677
  Dep-P Fr= 1--      0.7410                 0.0313                 0.7481
  Dep-U Fr= 1--      0.8512                 0.0607                 0.8559
 Alpha2 Fr= 1--      0.0045                 7.1513                 0.0009
 Beta2  Fr= 1--      4.1921                 3.5019                 3.7327
 AlphaG Fr= 1--     -0.0006                -0.9378                 0.0006
 Gamma2 Fr= 1--    -28.6517                25.0991               -14.5242
 Delta2 Fr= 1--      2.2917                 6.4606               -14.1599
 Raman1 Fr= 1--     118.191               1385.283                104.671
 ROA1   Fr= 1--   -2677.227               2616.257              -1847.434
 CID1   Fr= 1--     -22.652                  1.889                -17.650
 Raman2 Fr= 1--      50.305                 42.023                 44.792
 ROA2   Fr= 1--    -705.973                550.694               -235.301
 CID2   Fr= 1--     -14.034                 13.105                 -5.253
 Raman3 Fr= 1--     100.610                 84.046                 89.585
 ROA3   Fr= 1--   -2677.227               2616.257              -1847.434
 CID3   Fr= 1--     -26.610                 31.129                -20.622
 RC180  Fr= 1--       0.702                 -0.879                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.04    -0.01  -0.03   0.04     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
     6   6     0.00  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    10   1    -0.18  -0.46  -0.06     0.18   0.44   0.06    -0.00  -0.00  -0.00
    11   1     0.12   0.15   0.49    -0.12  -0.14  -0.46     0.00   0.00   0.00
    12   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.07  -0.07   0.44
    13   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.37   0.19  -0.12
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.12   0.20  -0.11
    15   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.14   0.05   0.21
    16   1     0.12  -0.14   0.46     0.12  -0.15   0.49     0.00  -0.00   0.00
    17   1    -0.17   0.44  -0.06    -0.18   0.46  -0.06    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.19  -0.11
    19   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.13  -0.05   0.20
    20   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.06   0.06   0.42
    21   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.35  -0.18  -0.11
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3115.7149              3117.8851              3119.5406
 Red. masses --      1.0503                 1.0557                 1.0554
 Frc consts  --      6.0075                 6.0468                 6.0511
 IR Inten    --     10.5098                22.2131                24.0314
 RamAct Fr= 1--    191.2939                 1.1850               506.2104
  Dep-P Fr= 1--      0.2515                 0.5250                 0.0161
  Dep-U Fr= 1--      0.4020                 0.6885                 0.0317
 Alpha2 Fr= 1--      2.2574                 0.0052                10.8330
 Beta2  Fr= 1--     12.8160                 0.1360                 2.6754
 AlphaG Fr= 1--      1.1672                 0.0008                 0.8799
 Gamma2 Fr= 1--     21.9974                 3.2184                -9.4226
 Delta2 Fr= 1--      6.9837                 2.6916                 6.5139
 Raman1 Fr= 1--     765.176                  4.740               2024.842
 ROA1   Fr= 1--    2335.225                395.094               -696.121
 CID1   Fr= 1--       3.052                 83.356                 -0.344
 Raman2 Fr= 1--     153.792                  1.632                 32.104
 ROA2   Fr= 1--     472.067                 55.708               -278.253
 CID2   Fr= 1--       3.070                 34.141                 -8.667
 Raman3 Fr= 1--     307.585                  3.263                 64.209
 ROA3   Fr= 1--    2335.225                395.094               -696.121
 CID3   Fr= 1--       7.592                121.066                -10.842
 RC180  Fr= 1--      -0.196                  0.377                 -0.937
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.03   0.01   0.03     0.02   0.01   0.02    -0.01  -0.01  -0.01
     5   6    -0.00   0.01   0.01     0.00  -0.04  -0.02    -0.00   0.04   0.02
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.02
     9   6    -0.03   0.01  -0.03     0.02  -0.01   0.02     0.01  -0.01   0.01
    10   1    -0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.07   0.07  -0.44     0.04   0.04  -0.26    -0.03  -0.03   0.19
    13   1    -0.37  -0.19   0.12    -0.21  -0.11   0.07     0.16   0.08  -0.05
    14   1    -0.09  -0.15   0.08     0.20   0.34  -0.19    -0.20  -0.34   0.19
    15   1     0.10  -0.04  -0.16    -0.24   0.08   0.36     0.25  -0.08  -0.38
    16   1    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.09  -0.15  -0.09     0.19  -0.33  -0.18     0.21  -0.35  -0.20
    19   1    -0.11  -0.04   0.17    -0.23  -0.08   0.35    -0.26  -0.09   0.39
    20   1    -0.07   0.07   0.47     0.04  -0.04  -0.24     0.03  -0.03  -0.20
    21   1     0.39  -0.21  -0.13    -0.20   0.11   0.07    -0.17   0.09   0.06
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3178.8062              3179.3213              3188.6161
 Red. masses --      1.1177                 1.1167                 1.1189
 Frc consts  --      6.6541                 6.6508                 6.7027
 IR Inten    --     11.5452                 9.6999                 0.1028
 RamAct Fr= 1--    159.4331                35.1372                67.2106
  Dep-P Fr= 1--      0.7317                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8450                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0500                 0.0000                 0.0000
 Beta2  Fr= 1--     22.4545                 5.0196                 9.6015
 AlphaG Fr= 1--     -0.0686                -0.0000                 0.0000
 Gamma2 Fr= 1--      7.0172               -21.4287                32.0073
 Delta2 Fr= 1--     -5.5338                -1.8027                51.0299
 Raman1 Fr= 1--     637.732                140.549                268.842
 ROA1   Fr= 1--     496.566              -2114.844               4705.661
 CID1   Fr= 1--       0.779                -15.047                 17.503
 Raman2 Fr= 1--     269.454                 60.235                115.218
 ROA2   Fr= 1--     212.682               -499.867                359.937
 CID2   Fr= 1--       0.789                 -8.299                  3.124
 Raman3 Fr= 1--     538.907                120.470                230.436
 ROA3   Fr= 1--     496.566              -2114.844               4705.661
 CID3   Fr= 1--       0.921                -17.555                 20.421
 RC180  Fr= 1--       0.690                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.04     0.02   0.05   0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.04
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.04
     6   6     0.02  -0.05   0.04     0.02  -0.05   0.04    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.03
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    10   1     0.19   0.47   0.05    -0.19  -0.47  -0.05     0.01   0.03   0.00
    11   1     0.11   0.13   0.45    -0.11  -0.13  -0.45     0.01   0.01   0.03
    12   1     0.00   0.00  -0.01    -0.00  -0.00   0.02    -0.04  -0.05   0.36
    13   1     0.01   0.00  -0.00    -0.02  -0.01   0.01    -0.33  -0.17   0.10
    14   1    -0.01  -0.01   0.00     0.01   0.01  -0.01     0.15   0.27  -0.14
    15   1    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.18  -0.07  -0.28
    16   1    -0.11   0.13  -0.45    -0.11   0.13  -0.45     0.01  -0.01   0.03
    17   1    -0.19   0.47  -0.05    -0.19   0.47  -0.05     0.01  -0.03   0.00
    18   1     0.01  -0.01  -0.00     0.01  -0.01  -0.01     0.15  -0.26  -0.14
    19   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.18   0.07  -0.27
    20   1    -0.00   0.00   0.01    -0.00   0.00   0.02    -0.04   0.05   0.35
    21   1    -0.01   0.00   0.00    -0.02   0.01   0.01    -0.32   0.16   0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3189.3494              3202.4768              3203.3691
 Red. masses --      1.1190                 1.1163                 1.1163
 Frc consts  --      6.7064                 6.7451                 6.7490
 IR Inten    --      0.0902                35.7568                 4.1702
 RamAct Fr= 1--    116.8504                37.0221               128.6234
  Dep-P Fr= 1--      0.7467                 0.7498                 0.6777
  Dep-U Fr= 1--      0.8550                 0.8570                 0.8079
 Alpha2 Fr= 1--      0.0065                 0.0001                 0.1643
 Beta2  Fr= 1--     16.6509                 5.2880                17.3188
 AlphaG Fr= 1--      0.1675                -0.0003                -0.5139
 Gamma2 Fr= 1--    -19.6238                12.3487               -15.9419
 Delta2 Fr= 1--    -43.8999                 1.5018                -9.1764
 Raman1 Fr= 1--     467.401                148.088                514.494
 ROA1   Fr= 1--   -3288.685               1233.529              -1824.063
 CID1   Fr= 1--      -7.036                  8.330                 -3.545
 Raman2 Fr= 1--     199.811                 63.456                207.826
 ROA2   Fr= 1--    -119.772                284.353               -309.194
 CID2   Fr= 1--      -0.599                  4.481                 -1.488
 Raman3 Fr= 1--     399.621                126.911                415.652
 ROA3   Fr= 1--   -3288.685               1233.529              -1824.063
 CID3   Fr= 1--      -8.230                  9.720                 -4.388
 RC180  Fr= 1--       0.710                  0.714                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.03  -0.02   0.04     0.03   0.02  -0.04    -0.03  -0.02   0.03
     5   6     0.03   0.02  -0.03     0.03   0.02  -0.04    -0.03  -0.02   0.04
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.03   0.02   0.03     0.03  -0.02  -0.04     0.03  -0.02  -0.04
     9   6     0.03  -0.02  -0.04     0.03  -0.02  -0.03     0.03  -0.02  -0.03
    10   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.05   0.05  -0.36    -0.04  -0.04   0.33     0.04   0.04  -0.29
    13   1     0.33   0.17  -0.10    -0.30  -0.16   0.09     0.27   0.14  -0.08
    14   1    -0.14  -0.25   0.13    -0.17  -0.30   0.15     0.17   0.30  -0.16
    15   1    -0.16   0.06   0.24    -0.20   0.08   0.31     0.19  -0.08  -0.30
    16   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   1     0.15  -0.26  -0.14    -0.16   0.28   0.15    -0.18   0.32   0.17
    19   1     0.17   0.06  -0.25    -0.19  -0.08   0.29    -0.21  -0.08   0.32
    20   1    -0.05   0.05   0.38    -0.04   0.04   0.32    -0.04   0.04   0.31
    21   1    -0.35   0.18   0.10    -0.28   0.15   0.08    -0.28   0.15   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Molecular mass:   120.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   570.081161550.720471674.13617
           X            1.00000  -0.00000   0.00147
           Y            0.00000   1.00000   0.00001
           Z           -0.00147  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.15193     0.05585     0.05174
 Rotational constants (GHZ):           3.16576     1.16381     1.07801
 Zero-point vibrational energy     476933.7 (Joules/Mol)
                                  113.98989 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.36   182.89   196.74   351.05   375.60
          (Kelvin)            445.58   578.64   612.88   663.73   814.25
                              899.12   951.58  1138.85  1145.25  1239.69
                             1240.27  1261.42  1304.13  1335.80  1343.23
                             1390.30  1431.03  1455.42  1488.19  1519.27
                             1531.78  1545.09  1552.25  1553.06  1589.87
                             1613.63  1627.32  1684.37  1695.60  1695.66
                             1709.58  1797.15  2049.41  2091.80  2110.00
                             2110.78  2130.40  2147.77  2210.13  2379.12
                             4459.56  4459.69  4482.55  4482.82  4485.94
                             4488.32  4573.59  4574.33  4587.71  4588.76
                             4607.65  4608.93
 
 Zero-point correction=                           0.181654 (Hartree/Particle)
 Thermal correction to Energy=                    0.190239
 Thermal correction to Enthalpy=                  0.191183
 Thermal correction to Gibbs Free Energy=         0.148598
 Sum of electronic and zero-point Energies=           -350.002429
 Sum of electronic and thermal Energies=              -349.993845
 Sum of electronic and thermal Enthalpies=            -349.992901
 Sum of electronic and thermal Free Energies=         -350.035486
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  119.377             34.007             89.627
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.264
 Rotational               0.889              2.981             28.783
 Vibrational            117.599             28.046             20.580
 Vibration     1          0.602              1.954              3.588
 Vibration     2          0.611              1.926              2.989
 Vibration     3          0.614              1.917              2.849
 Vibration     4          0.659              1.773              1.774
 Vibration     5          0.669              1.744              1.655
 Vibration     6          0.699              1.655              1.364
 Vibration     7          0.768              1.465              0.955
 Vibration     8          0.788              1.414              0.872
 Vibration     9          0.819              1.336              0.762
 Vibration    10          0.922              1.105              0.512
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.446408D-68        -68.350268       -157.382309
 Total V=0       0.160291D+16         15.204909         35.010597
 Vib (Bot)       0.198162D-81        -81.702980       -188.128064
 Vib (Bot)    1  0.220033D+01          0.342487          0.788606
 Vib (Bot)    2  0.160498D+01          0.205469          0.473109
 Vib (Bot)    3  0.148829D+01          0.172688          0.397630
 Vib (Bot)    4  0.802154D+00         -0.095742         -0.220454
 Vib (Bot)    5  0.743632D+00         -0.128642         -0.296209
 Vib (Bot)    6  0.610686D+00         -0.214182         -0.493173
 Vib (Bot)    7  0.442478D+00         -0.354108         -0.815363
 Vib (Bot)    8  0.410320D+00         -0.386877         -0.890817
 Vib (Bot)    9  0.368302D+00         -0.433796         -0.998851
 Vib (Bot)   10  0.273044D+00         -0.563768         -1.298123
 Vib (V=0)       0.711537D+02          1.852198          4.264843
 Vib (V=0)    1  0.275642D+01          0.440346          1.013933
 Vib (V=0)    2  0.218106D+01          0.338667          0.779809
 Vib (V=0)    3  0.207004D+01          0.315978          0.727566
 Vib (V=0)    4  0.144523D+01          0.159936          0.368265
 Vib (V=0)    5  0.139610D+01          0.144915          0.333680
 Vib (V=0)    6  0.128926D+01          0.110342          0.254071
 Vib (V=0)    7  0.116767D+01          0.067321          0.155013
 Vib (V=0)    8  0.114681D+01          0.059491          0.136984
 Vib (V=0)    9  0.112100D+01          0.049607          0.114225
 Vib (V=0)   10  0.106970D+01          0.029260          0.067374
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.517291D+08          7.713735         17.761532
 Rotational      0.435488D+06          5.638976         12.984222
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002690   -0.000000025   -0.000003013
      2        6          -0.000010787    0.000002749   -0.000006732
      3        6          -0.000008720   -0.000003790    0.000000425
      4        6           0.000000523   -0.000002350    0.000000264
      5        6          -0.000001810   -0.000008512    0.000004790
      6        6           0.000003730    0.000003953    0.000001422
      7        6           0.000003639   -0.000008569    0.000001357
      8        6          -0.000000251    0.000005298    0.000002184
      9        6          -0.000001978    0.000003708   -0.000001924
     10        1          -0.000000622   -0.000001406   -0.000001763
     11        1          -0.000008655    0.000004148   -0.000000368
     12        1           0.000003258   -0.000001417    0.000001135
     13        1           0.000002002   -0.000001139    0.000000197
     14        1           0.000013019    0.000005065   -0.000000252
     15        1           0.000000226    0.000003159   -0.000000979
     16        1           0.000004670   -0.000000735    0.000000630
     17        1           0.000000490    0.000000261    0.000003792
     18        1           0.000000722   -0.000001659    0.000001403
     19        1          -0.000002399    0.000001534   -0.000000159
     20        1          -0.000000664   -0.000002243   -0.000001158
     21        1           0.000000917    0.000001972   -0.000001250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013019 RMS     0.000003867
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125305D+03 -0.341271D-03  0.163608D+01
      2  -0.341271D-03  0.101005D+03  0.103518D-03
      3   0.163608D+01  0.103518D-03  0.954840D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.878336D+01 -0.321723D-03  0.170177D+01
      2  -0.175270D-02 -0.276967D+01  0.385966D-02
      3   0.278638D+02 -0.530485D-03 -0.387243D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.186503D-01 -0.283580D+02 -0.390786D-02
      2   0.592599D-02 -0.821651D+01 -0.117988D-01
      3   0.127243D-01  0.365745D+02  0.157066D-01
      4  -0.302257D+02 -0.109806D-02 -0.110500D+01
      5  -0.296226D-02  0.217600D+01  0.134531D-01
      6  -0.247339D+01 -0.137836D-01  0.187149D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.408629D+01  0.346893D+01 -0.600133D+01 -0.131082D+01 -0.374061D+01
      2   0.346893D+01 -0.483475D+01  0.107833D+01 -0.374061D+01 -0.293324D+01
      3  -0.600133D+01  0.107833D+01  0.310489D+01  0.222563D+01 -0.134284D+01
                 6             7             8             9            10 
      1   0.222563D+01 -0.228353D+01 -0.128146D+01  0.195765D+01  0.879286D-01
      2  -0.134284D+01 -0.128146D+01 -0.296152D+01  0.247183D+01  0.890018D+00
      3   0.363891D+01  0.195765D+01  0.247183D+01  0.317249D+01 -0.161609D+01
                11            12            13            14            15 
      1   0.890018D+00 -0.161609D+01  0.296580D+01 -0.101291D+01 -0.337549D+01
      2   0.291953D+00  0.564158D+00 -0.101291D+01  0.127641D+01  0.147247D+01
      3   0.564158D+00  0.831955D-01 -0.337549D+01  0.147247D+01 -0.164043D+01
                16            17            18            19            20 
      1  -0.621450D+01 -0.125704D+01  0.169587D+01 -0.137450D-02 -0.723611D+00
      2  -0.125704D+01  0.328705D+01 -0.119586D+01 -0.723611D+00  0.249619D-04
      3   0.169587D+01 -0.119586D+01 -0.884225D-01 -0.897668D-04  0.160114D+00
                21            22            23            24            25 
      1  -0.897668D-04  0.215200D+01 -0.205895D-02  0.392480D+01  0.906650D-03
      2   0.160114D+00 -0.205895D-02  0.108069D+01  0.525259D-04  0.576773D+01
      3   0.201406D-03  0.392480D+01  0.525259D-04 -0.233508D+01  0.236743D-02
                26            27            28            29            30 
      1   0.576773D+01  0.236743D-02  0.356287D+00 -0.388710D+01  0.327675D+01
      2   0.421110D-03 -0.122171D+01 -0.388710D+01 -0.274604D+00 -0.406360D+00
      3  -0.122171D+01 -0.147155D-02  0.327675D+01 -0.406360D+00  0.230357D+01
                31            32            33            34            35 
      1  -0.673378D+01  0.260320D+01 -0.161952D+00  0.487026D+01  0.156138D+01
      2   0.260320D+01  0.237571D+01  0.344490D+01  0.156138D+01  0.218582D+01
      3  -0.161952D+00  0.344490D+01  0.271393D+01  0.647472D+00  0.181851D+01
                36            37            38            39            40 
      1   0.647472D+00  0.154314D+01 -0.311619D+01  0.868388D+00 -0.246839D+01
      2   0.181851D+01 -0.311619D+01  0.333243D+01 -0.372930D+01  0.265209D+01
      3  -0.354052D+01  0.868388D+00 -0.372930D+01 -0.379454D+01 -0.117875D+01
                41            42            43            44            45 
      1   0.265209D+01 -0.117875D+01  0.294168D+01 -0.464125D+01 -0.314754D+01
      2  -0.207044D+01 -0.249920D+01 -0.464125D+01 -0.244000D+01  0.226471D-01
      3  -0.249920D+01 -0.585354D+00 -0.314754D+01  0.226471D-01  0.712633D+00
                46            47            48            49            50 
      1  -0.408542D+01  0.346604D+01  0.600094D+01 -0.131102D+01  0.374124D+01
      2   0.346604D+01  0.483405D+01  0.107981D+01  0.374124D+01 -0.293446D+01
      3   0.600094D+01  0.107981D+01 -0.310720D+01  0.222764D+01  0.133983D+01
                51            52            53            54            55 
      1   0.222764D+01  0.228171D+01 -0.128054D+01 -0.196041D+01 -0.815292D-01
      2   0.133983D+01 -0.128054D+01  0.295835D+01  0.247299D+01  0.890192D+00
      3   0.363884D+01 -0.196041D+01  0.247299D+01 -0.316855D+01  0.161661D+01
                56            57            58            59            60 
      1   0.890192D+00  0.161661D+01  0.296386D+01  0.101442D+01 -0.337468D+01
      2  -0.292655D+00  0.563777D+00  0.101442D+01  0.127944D+01 -0.147060D+01
      3   0.563777D+00 -0.830374D-01 -0.337468D+01 -0.147060D+01 -0.164040D+01
                61            62            63            64            65 
      1   0.621541D+01 -0.125685D+01 -0.169825D+01 -0.154521D+01 -0.312006D+01
      2  -0.125685D+01 -0.328547D+01 -0.119765D+01 -0.312006D+01 -0.332837D+01
      3  -0.169825D+01 -0.119765D+01  0.872337D-01 -0.867539D+00 -0.373102D+01
                66            67            68            69            70 
      1  -0.867539D+00 -0.247005D+01 -0.264867D+01 -0.118028D+01 -0.294082D+01
      2  -0.373102D+01 -0.264867D+01 -0.207276D+01  0.250019D+01 -0.464209D+01
      3   0.379124D+01 -0.118028D+01  0.250019D+01 -0.582126D+00  0.314535D+01
                71            72            73            74            75 
      1  -0.464209D+01  0.314535D+01 -0.363754D+00 -0.388598D+01 -0.327927D+01
      2   0.244118D+01  0.275176D-01 -0.388598D+01  0.275388D+00 -0.403840D+00
      3   0.275176D-01 -0.716893D+00 -0.327927D+01 -0.403840D+00 -0.230011D+01
                76            77            78            79            80 
      1  -0.673188D+01 -0.260400D+01 -0.160292D+00 -0.487304D+01  0.156330D+01
      2  -0.260400D+01  0.237894D+01 -0.344504D+01  0.156330D+01 -0.218637D+01
      3  -0.160292D+00 -0.344504D+01  0.271018D+01 -0.642534D+00  0.181543D+01
                81            82            83            84            85 
      1  -0.642534D+00  0.166527D+01  0.158578D+01 -0.198937D+00  0.311123D+01
      2   0.181543D+01  0.158578D+01  0.349633D+01 -0.929547D+00  0.322268D+01
      3   0.354511D+01 -0.198937D+00 -0.929547D+00  0.342998D+00 -0.104570D+01
                86            87            88            89            90 
      1   0.322268D+01 -0.104570D+01  0.116970D+01 -0.627725D-03  0.218103D+00
      2   0.100492D+02 -0.227907D+01 -0.627725D-03  0.559531D+00  0.118578D+01
      3  -0.227907D+01  0.182539D+01  0.218103D+00  0.118578D+01 -0.127657D+01
                91            92            93            94            95 
      1  -0.972857D+00 -0.702554D-01 -0.210853D+00 -0.106373D+01  0.610248D+00
      2  -0.702554D-01  0.243438D+00  0.499359D-01  0.610248D+00  0.498678D+00
      3  -0.210853D+00  0.499359D-01 -0.179788D+01 -0.308404D+00 -0.115644D+01
                96            97            98            99           100 
      1  -0.308404D+00 -0.172266D+01  0.709351D-01 -0.199458D+00  0.926178D+00
      2  -0.115644D+01  0.709351D-01 -0.157382D+01  0.119047D+01  0.660380D+00
      3  -0.202836D+01 -0.199458D+00  0.119047D+01 -0.106425D+02  0.731733D+00
               101           102           103           104           105 
      1   0.660380D+00  0.731733D+00  0.663437D+00  0.317720D+00  0.192826D+00
      2  -0.270209D+00  0.303875D+00  0.317720D+00 -0.597810D+00  0.572081D+00
      3   0.303875D+00 -0.510821D+00  0.192826D+00  0.572081D+00 -0.109265D+01
               106           107           108           109           110 
      1   0.262763D+01 -0.357544D+00  0.293489D+01  0.112188D+02  0.294556D+01
      2  -0.357544D+00  0.116256D+01 -0.804831D+00  0.294556D+01  0.180435D+01
      3   0.293489D+01 -0.804831D+00  0.969632D+01  0.608279D+00  0.216281D+00
               111           112           113           114           115 
      1   0.608279D+00  0.556539D+01  0.197930D+01  0.249539D+00 -0.231154D+01
      2   0.216281D+00  0.197930D+01  0.135167D+01 -0.186628D+00 -0.413118D+00
      3   0.108489D+01  0.249539D+00 -0.186628D+00  0.630259D+00  0.144741D+01
               116           117           118           119           120 
      1  -0.413118D+00  0.144741D+01 -0.113681D+01 -0.486339D+00  0.366910D-01
      2  -0.960820D+00  0.219116D+00 -0.486339D+00 -0.301047D+01  0.102866D+01
      3   0.219116D+00  0.511349D+00  0.366910D-01  0.102866D+01 -0.297448D+00
               121           122           123           124           125 
      1  -0.125359D+01 -0.324502D+00  0.417595D+00  0.768089D+00  0.775530D+00
      2  -0.324502D+00 -0.791529D+01  0.109622D+01  0.775530D+00  0.245188D+01
      3   0.417595D+00  0.109622D+01 -0.125795D+01  0.359915D+00 -0.153377D+01
               126           127           128           129           130 
      1   0.359915D+00  0.348482D+01 -0.162775D+01 -0.226504D+01 -0.550716D+00
      2  -0.153377D+01 -0.162775D+01  0.139368D+01  0.174376D+01  0.124543D+01
      3   0.891388D+00 -0.226504D+01  0.174376D+01  0.286267D+01  0.102171D+01
               131           132           133           134           135 
      1   0.124543D+01  0.102171D+01 -0.438012D+01  0.265894D+01  0.364935D+01
      2  -0.257483D+01 -0.142276D+01  0.265894D+01 -0.279739D+01 -0.276271D+01
      3  -0.142276D+01 -0.103630D+01  0.364935D+01 -0.276271D+01 -0.534437D+01
               136           137           138           139           140 
      1   0.974142D+00 -0.702198D-01  0.210965D+00 -0.106418D+01 -0.609985D+00
      2  -0.702198D-01 -0.242966D+00  0.498520D-01 -0.609985D+00  0.497926D+00
      3   0.210965D+00  0.498520D-01  0.180015D+01 -0.308923D+00  0.115684D+01
               141           142           143           144           145 
      1  -0.308923D+00  0.172242D+01  0.710261D-01  0.201701D+00 -0.166585D+01
      2   0.115684D+01  0.710261D-01  0.157336D+01  0.118866D+01  0.158576D+01
      3  -0.202929D+01  0.201701D+00  0.118866D+01  0.106408D+02  0.199550D+00
               146           147           148           149           150 
      1   0.158576D+01  0.199550D+00  0.311151D+01 -0.322221D+01 -0.104634D+01
      2  -0.349615D+01 -0.930315D+00 -0.322221D+01  0.100467D+02  0.228061D+01
      3  -0.930315D+00 -0.343434D+00 -0.104634D+01  0.228061D+01  0.182609D+01
               151           152           153           154           155 
      1  -0.116848D+01 -0.117835D-02 -0.218044D+00  0.113531D+01 -0.485329D+00
      2  -0.117835D-02 -0.557133D+00  0.118588D+01 -0.485329D+00  0.300740D+01
      3  -0.218044D+00  0.118588D+01  0.127743D+01 -0.370797D-01  0.102951D+01
               156           157           158           159           160 
      1  -0.370797D-01 -0.125307D+01  0.322458D+00  0.417660D+00 -0.769209D+00
      2   0.102951D+01  0.322458D+00 -0.791455D+01 -0.109948D+01  0.775019D+00
      3   0.297881D+00  0.417660D+00 -0.109948D+01 -0.125898D+01 -0.359725D+00
               161           162           163           164           165 
      1   0.775019D+00 -0.359725D+00 -0.348111D+01 -0.162668D+01  0.226317D+01
      2  -0.245606D+01 -0.153591D+01 -0.162668D+01 -0.139382D+01  0.174377D+01
      3  -0.153591D+01 -0.893543D+00  0.226317D+01  0.174377D+01 -0.286060D+01
               166           167           168           169           170 
      1  -0.551264D+00 -0.124620D+01  0.102222D+01  0.437892D+01  0.265943D+01
      2  -0.124620D+01 -0.257667D+01  0.142322D+01  0.265943D+01  0.279887D+01
      3   0.102222D+01  0.142322D+01 -0.103744D+01 -0.364799D+01 -0.276420D+01
               171           172           173           174           175 
      1  -0.364799D+01 -0.927586D+00  0.660693D+00 -0.732127D+00  0.664414D+00
      2  -0.276420D+01  0.660693D+00  0.269469D+00  0.303388D+00 -0.318043D+00
      3   0.534508D+01 -0.732127D+00  0.303388D+00  0.507953D+00  0.193070D+00
               176           177           178           179           180 
      1  -0.318043D+00  0.193070D+00 -0.262922D+01 -0.357101D+00 -0.293809D+01
      2  -0.597026D+00 -0.571757D+00 -0.357101D+00 -0.116234D+01 -0.802065D+00
      3  -0.571757D+00 -0.108981D+01 -0.293809D+01 -0.802065D+00 -0.969724D+01
               181           182           183           184           185 
      1  -0.112167D+02  0.294616D+01 -0.604729D+00  0.556484D+01 -0.197960D+01
      2   0.294616D+01 -0.180449D+01  0.215160D+00 -0.197960D+01  0.135171D+01
      3  -0.604729D+00  0.215160D+00 -0.108455D+01  0.248112D+00  0.187395D+00
               186           187           188           189 
      1   0.248112D+00  0.231641D+01 -0.414491D+00 -0.144802D+01
      2   0.187395D+00 -0.414491D+00  0.961896D+00  0.219845D+00
      3   0.630594D+00 -0.144802D+01  0.219845D+00 -0.509816D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.450991D+01  0.553742D+01 -0.728262D+01  0.584865D+01  0.933158D+01
      2  -0.201418D+01  0.263427D+01  0.177653D+01  0.475486D+01 -0.804815D+01
      3   0.318119D+00  0.506955D+01 -0.753366D+01  0.645464D+01 -0.287229D+01
                 6             7             8             9            10 
      1  -0.834686D+01 -0.356829D+01  0.426802D+01 -0.106492D+02 -0.249416D+00
      2   0.643014D+01 -0.510489D+01  0.230450D+01  0.700293D+01 -0.170982D+01
      3   0.385685D+01 -0.651530D+01  0.255844D+01  0.101492D+01  0.393197D+01
                11            12            13            14            15 
      1   0.131043D+01  0.304212D+01 -0.245823D+01  0.389282D+00 -0.448764D+01
      2  -0.882077D-01  0.452914D+01 -0.226198D+01  0.244968D+01 -0.630943D+01
      3  -0.865818D+01 -0.165205D+00  0.135626D+02 -0.286374D+01 -0.245363D+01
                16            17            18            19            20 
      1  -0.749742D+01  0.419835D+01  0.653597D+00  0.153112D-02 -0.266972D+01
      2  -0.952504D+01  0.181188D+01  0.376245D+00 -0.329507D+01 -0.958154D-03
      3  -0.837923D+00 -0.731330D+01  0.355773D+01 -0.212660D-03 -0.589000D+01
                21            22            23            24            25 
      1  -0.164956D-03  0.333219D+01 -0.532427D-03 -0.400117D+00 -0.140256D-02
      2   0.629912D+01 -0.124512D-03 -0.717611D+00  0.455255D-03 -0.142550D+02
      3   0.153721D-03  0.143312D+02 -0.338733D-02 -0.341576D-01  0.554803D-03
                26            27            28            29            30 
      1   0.368847D+01  0.220295D-02 -0.413544D+01  0.137702D+01  0.116458D+00
      2  -0.446038D-03  0.370857D+00  0.140962D+02  0.262400D+01  0.923818D+01
      3   0.665425D+01  0.238357D-02  0.107477D+02 -0.282670D+01  0.838469D+00
                31            32            33            34            35 
      1  -0.151068D+01  0.462717D+01  0.103613D+01  0.281394D+01  0.521800D+01
      2   0.500271D+01  0.104241D+02  0.905636D+01 -0.591258D+01  0.452447D+01
      3  -0.362166D+01 -0.983679D+01 -0.103930D+02 -0.340490D+01 -0.946606D+01
                36            37            38            39            40 
      1   0.305260D+01  0.195230D+01 -0.922578D+01 -0.452917D+01 -0.516736D+01
      2  -0.136457D+02 -0.656696D+00 -0.838534D+01 -0.668619D+01 -0.508585D+01
      3  -0.741510D+01  0.851896D+01 -0.867303D+01  0.831269D+01  0.131599D+01
                41            42            43            44            45 
      1  -0.523319D+01 -0.313684D+01 -0.674288D+01  0.640883D+01  0.109562D+01
      2  -0.406097D+01 -0.286839D+01 -0.791503D+01 -0.198052D+01 -0.617446D+00
      3  -0.579535D+00  0.106638D+02  0.968612D+01  0.147931D+02  0.730669D+01
                46            47            48            49            50 
      1  -0.451165D+01  0.553617D+01  0.728813D+01  0.584769D+01 -0.932934D+01
      2  -0.201405D+01 -0.263329D+01  0.177814D+01 -0.475472D+01 -0.804579D+01
      3  -0.318613D+00  0.506433D+01  0.753365D+01  0.645059D+01  0.287034D+01
                51            52            53            54            55 
      1  -0.835032D+01  0.357675D+01  0.426204D+01  0.106429D+02  0.249520D+00
      2  -0.643239D+01 -0.510162D+01 -0.230804D+01  0.700121D+01 -0.171059D+01
      3   0.385579D+01  0.651393D+01  0.255735D+01 -0.101753D+01 -0.393116D+01
                56            57            58            59            60 
      1   0.130970D+01 -0.304232D+01 -0.246026D+01 -0.389878D+00 -0.448670D+01
      2   0.887619D-01  0.452947D+01  0.226172D+01  0.244683D+01  0.630890D+01
      3  -0.865939D+01  0.165072D+00  0.135629D+02  0.286910D+01 -0.244911D+01
                61            62            63            64            65 
      1   0.749720D+01  0.419761D+01 -0.652004D+00 -0.194890D+01 -0.922418D+01
      2  -0.952307D+01 -0.180865D+01  0.378426D+00 -0.657203D+00  0.839114D+01
      3   0.839284D+00 -0.731101D+01 -0.356159D+01 -0.852720D+01 -0.865505D+01
                66            67            68            69            70 
      1   0.452529D+01 -0.516628D+01  0.523507D+01 -0.312997D+01  0.674114D+01
      2  -0.667933D+01  0.508888D+01 -0.406673D+01  0.286075D+01 -0.791020D+01
      3  -0.832091D+01  0.133235D+01  0.566316D+00  0.106713D+02 -0.969026D+01
                71            72            73            74            75 
      1   0.641821D+01 -0.110021D+01  0.413337D+01  0.137621D+01 -0.117534D+00
      2   0.196720D+01 -0.604587D+00  0.140989D+02 -0.263083D+01  0.922532D+01
      3   0.148003D+02 -0.729064D+01 -0.107451D+02 -0.282796D+01 -0.830747D+00
                76            77            78            79            80 
      1  -0.150968D+01 -0.462724D+01  0.103318D+01 -0.281656D+01  0.521480D+01
      2  -0.500630D+01  0.104248D+02 -0.904336D+01 -0.593050D+01 -0.451171D+01
      3  -0.362638D+01  0.984999D+01 -0.103957D+02  0.340885D+01 -0.946790D+01
                81            82            83            84            85 
      1  -0.304936D+01 -0.255096D+01 -0.393324D+01 -0.279912D+00 -0.270306D+01
      2  -0.136573D+02  0.193441D+01  0.938919D+00  0.113073D+01  0.284486D+01
      3   0.740442D+01  0.126825D+01 -0.362354D+01  0.889142D+00  0.476174D+01
                86            87            88            89            90 
      1  -0.115186D+02 -0.231294D+01 -0.437903D+00 -0.149780D+01  0.495905D+00
      2   0.178849D+01  0.154216D+01 -0.249110D+00  0.133034D+01 -0.102888D+01
      3  -0.479634D+01  0.621690D+00  0.143752D+01 -0.134699D+00 -0.721878D+00
                91            92            93            94            95 
      1   0.146469D+01 -0.481776D-01  0.331352D+01 -0.378107D+00  0.132857D+01
      2  -0.282213D+01 -0.328277D+00 -0.946617D+00 -0.201961D+01 -0.688309D+00
      3  -0.765287D+00 -0.470546D+00 -0.297966D+00 -0.460189D+00  0.341298D-01
                96            97            98            99           100 
      1   0.344094D+01  0.306691D+00  0.371536D+01  0.143210D+02  0.109611D+01
      2  -0.305354D+01 -0.648410D+01  0.120869D+01 -0.114663D+02  0.237677D+01
      3   0.360132D+00 -0.254972D+01  0.118480D+01 -0.151930D+01 -0.149945D+01
               101           102           103           104           105 
      1   0.135141D-01  0.395728D+00  0.119380D+00 -0.822569D+00 -0.802902D+00
      2   0.369705D+00 -0.158532D+01 -0.398235D+00  0.164320D+01 -0.358832D+01
      3  -0.142922D+00 -0.124078D+01 -0.359227D+00  0.159097D+01 -0.127174D+01
               106           107           108           109           110 
      1   0.190829D-02  0.436003D+01  0.140742D+01  0.351696D+01  0.185127D+01
      2   0.290564D+01 -0.204321D+01  0.275682D+02 -0.706532D+01 -0.143778D+01
      3   0.816798D+00 -0.390796D+01  0.219313D+01 -0.861395D+01 -0.899154D+01
               111           112           113           114           115 
      1  -0.707993D+00  0.235145D+01  0.122250D+01 -0.111584D+01 -0.527594D+00
      2   0.590218D+01 -0.308228D+01 -0.219118D+01  0.260951D+01  0.490545D+01
      3  -0.824366D+00 -0.331922D+01 -0.428301D+01  0.559528D+00  0.999027D+00
               116           117           118           119           120 
      1   0.361807D+00  0.736863D+00  0.964214D+00  0.297558D+01 -0.182585D+01
      2   0.125827D+01  0.462885D+00  0.666017D+00  0.146198D+01 -0.115648D+00
      3   0.276165D+01 -0.623303D+00  0.563112D+01  0.838149D+01 -0.328104D+01
               121           122           123           124           125 
      1   0.518529D+00  0.464844D+01 -0.532624D+01  0.495974D+00 -0.259057D+01
      2   0.687599D+00  0.189599D+01 -0.199592D+01 -0.139350D+00 -0.302271D+01
      3   0.610654D+01  0.213276D+02 -0.359698D+01 -0.399843D+01 -0.800080D+01
               126           127           128           129           130 
      1   0.264431D+01 -0.356842D+01  0.147672D+01  0.479959D+01  0.130638D+01
      2   0.138088D+01 -0.274931D+01  0.368969D+01  0.747499D+01  0.166929D+01
      3   0.379617D+01 -0.159122D+01 -0.237223D+01 -0.128245D+01 -0.279254D+00
               131           132           133           134           135 
      1  -0.736178D+00 -0.261503D+01  0.461826D+01 -0.103168D+01 -0.817320D+01
      2  -0.285333D+01 -0.268579D+01  0.331856D+01 -0.471753D+01 -0.106281D+02
      3   0.533814D+01  0.207881D+01  0.242774D+00  0.419695D+01  0.156809D+01
               136           137           138           139           140 
      1  -0.146571D+01 -0.462291D-01 -0.331644D+01 -0.377010D+00 -0.132998D+01
      2  -0.282573D+01  0.328319D+00 -0.948891D+00  0.202181D+01 -0.688942D+00
      3   0.766315D+00 -0.469985D+00  0.298355D+00 -0.460029D+00 -0.344809D-01
               141           142           143           144           145 
      1   0.344230D+01 -0.309979D+00  0.371814D+01 -0.143162D+02  0.255095D+01
      2   0.305502D+01 -0.648724D+01 -0.120661D+01 -0.114652D+02  0.193507D+01
      3   0.359528D+00  0.254809D+01  0.118320D+01  0.151967D+01 -0.126867D+01
               146           147           148           149           150 
      1  -0.393375D+01  0.279093D+00 -0.270245D+01  0.115170D+02 -0.230997D+01
      2  -0.938525D+00  0.113043D+01 -0.284583D+01  0.178850D+01 -0.154160D+01
      3  -0.362312D+01 -0.889476D+00  0.476144D+01  0.479321D+01  0.621718D+00
               151           152           153           154           155 
      1   0.436529D+00 -0.149398D+01 -0.496736D+00 -0.963976D+00  0.297382D+01
      2  -0.250437D+00 -0.132957D+01 -0.102972D+01  0.668636D+00 -0.146470D+01
      3  -0.143631D+01 -0.133106D+00  0.722068D+00 -0.562342D+01  0.837144D+01
               156           157           158           159           160 
      1   0.182560D+01  0.517847D+00 -0.464846D+01 -0.532861D+01 -0.496164D+00
      2  -0.117202D+00 -0.689937D+00  0.190432D+01  0.199928D+01 -0.140790D+00
      3   0.328403D+01  0.610001D+01 -0.213225D+02 -0.360588D+01  0.399996D+01
               161           162           163           164           165 
      1  -0.259422D+01 -0.264938D+01  0.356647D+01  0.147816D+01 -0.479744D+01
      2   0.302820D+01  0.138534D+01 -0.274846D+01 -0.369095D+01  0.747109D+01
      3  -0.801118D+01 -0.380265D+01  0.158920D+01 -0.237339D+01  0.128539D+01
               166           167           168           169           170 
      1   0.130746D+01  0.737123D+00 -0.261777D+01 -0.461795D+01 -0.103486D+01
      2  -0.166960D+01 -0.285406D+01  0.268812D+01  0.331730D+01  0.472125D+01
      3  -0.279814D+00 -0.534142D+01  0.207882D+01 -0.240963D+00  0.419863D+01
               171           172           173           174           175 
      1   0.817628D+01 -0.109581D+01  0.153837D-01 -0.396118D+00  0.119446D+00
      2  -0.106312D+02  0.237543D+01 -0.368320D+00 -0.157623D+01  0.398783D+00
      3  -0.157271D+01  0.150102D+01 -0.145504D+00  0.123927D+01 -0.360069D+00
               176           177           178           179           180 
      1   0.821186D+00 -0.801966D+00 -0.203942D-02  0.436020D+01 -0.140482D+01
      2   0.164185D+01  0.357992D+01  0.291568D+01  0.203569D+01  0.275714D+02
      3  -0.158904D+01 -0.127057D+01 -0.817485D+00 -0.390860D+01 -0.218555D+01
               181           182           183           184           185 
      1  -0.351574D+01  0.184968D+01  0.710036D+00  0.235110D+01 -0.122200D+01
      2  -0.706990D+01  0.144045D+01  0.590409D+01  0.308396D+01 -0.219264D+01
      3   0.861183D+01 -0.899157D+01  0.820320D+00 -0.331834D+01  0.428252D+01
               186           187           188           189 
      1  -0.111682D+01  0.529637D+00  0.361091D+00 -0.737545D+00
      2  -0.261188D+01  0.491043D+01 -0.126135D+01  0.457222D+00
      3   0.561679D+00 -0.100162D+01  0.276592D+01  0.624982D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.840706D+01  0.159199D+02 -0.596238D+01  0.675704D+01 -0.217290D+01
      2  -0.209666D+01 -0.198776D+02  0.138051D+02 -0.115181D+02 -0.171171D+02
      3   0.105037D+02  0.395769D+01 -0.784277D+01  0.476106D+01  0.192900D+02
      4   0.680164D+01 -0.568846D+01 -0.424682D+01 -0.959331D+01 -0.186194D+02
      5  -0.165984D+02 -0.270026D+01  0.143006D+02  0.197785D+01  0.318548D+01
      6  -0.173195D+02  0.894577D+01  0.272701D+01  0.102924D+02  0.508645D+00
                 6             7             8             9            10 
      1   0.100612D+02  0.747637D+00  0.628044D+01  0.116542D+02  0.281720D+01
      2   0.844651D+00  0.443098D+01 -0.315284D+01  0.134301D+02 -0.405594D+01
      3  -0.109058D+02 -0.517861D+01 -0.312760D+01 -0.250843D+02  0.123874D+01
      4   0.116430D+01 -0.722177D+01 -0.400558D+01  0.835024D+01  0.532249D+01
      5   0.402624D+01  0.109219D+02  0.613163D+01 -0.269131D+01 -0.159393D+02
      6   0.720948D+01  0.551258D+01  0.760912D+01 -0.405904D+01  0.291657D+01
                11            12            13            14            15 
      1  -0.683048D+00 -0.600349D+01 -0.839361D+00 -0.154130D+01 -0.620743D+01
      2   0.417955D+01  0.254264D+01  0.449978D+01 -0.666960D+00  0.206042D+01
      3  -0.349651D+01  0.346084D+01 -0.366042D+01  0.220826D+01  0.414702D+01
      4  -0.135038D+01  0.499278D+01 -0.716001D+01  0.999277D+01  0.288466D+01
      5   0.686136D+01 -0.361868D+00 -0.114968D+01  0.783862D+00 -0.272249D+01
      6  -0.345988D+01  0.293021D+01 -0.497895D+01  0.285565D+01  0.560175D-01
                16            17            18            19            20 
      1  -0.124576D+02 -0.340266D+01 -0.480361D+00 -0.911131D+01 -0.189632D-02
      2   0.627981D+01  0.263256D+01 -0.331002D+01  0.106138D+02 -0.103718D-02
      3   0.617781D+01  0.770103D+00  0.379038D+01 -0.150246D+01  0.293350D-02
      4   0.199251D+01  0.683820D+01 -0.220366D+01 -0.462449D-02 -0.181073D+01
      5   0.997791D-01 -0.158337D+01 -0.166086D+00  0.195308D+02  0.191212D-02
      6   0.595404D+01 -0.557016D+00  0.144322D+01  0.398141D-02  0.501153D+01
                21            22            23            24            25 
      1   0.173593D+01 -0.183533D-02 -0.195241D+01  0.316518D-02 -0.361682D+01
      2  -0.466625D+01 -0.209027D-02  0.491640D+01 -0.223000D-02  0.229971D-01
      3   0.293032D+01  0.392560D-02 -0.296400D+01 -0.935180D-03  0.359382D+01
      4   0.270565D-02 -0.254603D+01  0.220852D-02  0.427356D+00  0.633595D-02
      5  -0.124244D+02  0.769373D-02  0.693750D+00  0.922620D-03 -0.188151D+02
      6   0.722109D-04  0.876590D+01  0.142317D-04 -0.163392D+01  0.115010D-02
                26            27            28            29            30 
      1   0.138568D-04 -0.469320D+01 -0.129123D+02 -0.204064D+02  0.176099D+02
      2   0.978872D-03  0.277634D+01  0.187559D+01  0.894829D+01 -0.979485D+01
      3  -0.992729D-03  0.191686D+01  0.110368D+02  0.114581D+02 -0.781503D+01
      4   0.125837D+01 -0.702657D-03 -0.278869D+02 -0.211694D+01 -0.454219D+01
      5  -0.923496D-03  0.542311D+01  0.238294D+02 -0.496860D+01  0.144914D+02
      6  -0.122276D+01 -0.156670D-02 -0.660448D+01  0.210183D+00 -0.394659D+01
                31            32            33            34            35 
      1  -0.322881D+02  0.662125D+01 -0.832537D+00  0.299581D+02  0.325872D+01
      2   0.148516D+02 -0.674513D+01 -0.311719D+01 -0.128528D+02 -0.566346D+01
      3   0.174365D+02  0.123882D+00  0.394973D+01 -0.171054D+02  0.240473D+01
      4   0.803361D+01  0.135927D+02  0.167573D+02  0.282888D+01  0.117982D+02
      5  -0.613843D+01  0.188788D+02  0.116322D+02  0.902250D+01  0.783368D+01
      6  -0.279022D+00  0.303589D+01  0.161702D+01 -0.247163D+01  0.140689D+01
                36            37            38            39            40 
      1   0.189190D+02 -0.628914D+00 -0.593123D+01 -0.644215D+01 -0.446864D+01
      2   0.256986D+01  0.833461D+01 -0.869453D+01  0.463121D+01 -0.780496D+01
      3  -0.214888D+02 -0.770570D+01  0.146258D+02  0.181094D+01  0.122736D+02
      4   0.632299D+01 -0.110562D+02  0.144247D+02 -0.141276D+02  0.164210D+02
      5  -0.153226D+02  0.800707D+01 -0.165252D+02 -0.177977D+02 -0.811309D+01
      6   0.385565D+01 -0.340307D+00  0.951301D+01  0.103769D+02  0.584452D+01
                41            42            43            44            45 
      1   0.123536D+02 -0.114528D+02  0.614184D+00 -0.221825D+02 -0.133478D+02
      2  -0.459088D+01  0.134169D+02  0.143045D+01  0.182655D+02  0.959512D+01
      3  -0.776274D+01 -0.196413D+01 -0.204464D+01  0.391694D+01  0.375266D+01
      4  -0.210029D+02 -0.416012D+01 -0.197601D+02 -0.249535D+01  0.588068D+01
      5  -0.761164D+01  0.723297D-01 -0.161011D+02  0.293807D+01  0.816918D+01
      6   0.581802D+01 -0.242610D+01  0.125991D+02 -0.474165D+01 -0.347295D+01
                46            47            48            49            50 
      1  -0.840857D+01 -0.159144D+02 -0.595603D+01 -0.676017D+01 -0.216775D+01
      2  -0.210454D+01  0.198702D+02  0.138136D+02  0.115129D+02 -0.171143D+02
      3   0.105131D+02 -0.395572D+01 -0.785761D+01 -0.475275D+01  0.192820D+02
      4  -0.678748D+01 -0.569072D+01  0.424008D+01 -0.959513D+01  0.186180D+02
      5  -0.165955D+02  0.269310D+01  0.143025D+02 -0.198917D+01  0.319443D+01
      6   0.173110D+02  0.894980D+01 -0.272452D+01  0.102987D+02 -0.523219D+00
                51            52            53            54            55 
      1  -0.100616D+02  0.757169D+00 -0.627980D+01  0.116517D+02  0.279809D+01
      2  -0.851805D+00  0.443903D+01  0.314016D+01  0.134218D+02 -0.404658D+01
      3   0.109134D+02 -0.519620D+01  0.313964D+01 -0.250735D+02  0.124849D+01
      4   0.117410D+01  0.721474D+01 -0.399565D+01 -0.835192D+01 -0.532658D+01
      5  -0.402079D+01  0.109245D+02 -0.613093D+01 -0.270738D+01 -0.159439D+02
      6   0.720246D+01 -0.551355D+01  0.760321D+01  0.407218D+01 -0.291710D+01
                56            57            58            59            60 
      1   0.680468D+00 -0.600351D+01  0.841376D+00 -0.154596D+01  0.620489D+01
      2  -0.417643D+01  0.254506D+01 -0.449868D+01 -0.663881D+00 -0.206048D+01
      3   0.349596D+01  0.345845D+01  0.365730D+01  0.220984D+01 -0.414441D+01
      4  -0.134758D+01 -0.499278D+01 -0.716225D+01 -0.999980D+01  0.288039D+01
      5  -0.685956D+01 -0.363328D+00  0.115316D+01  0.781565D+00  0.272246D+01
      6  -0.346031D+01 -0.292998D+01 -0.497596D+01 -0.285196D+01  0.576768D-01
                61            62            63            64            65 
      1  -0.124630D+02  0.340392D+01 -0.472341D+00 -0.621338D+00  0.595658D+01
      2   0.628324D+01 -0.263472D+01 -0.331429D+01  0.833605D+01  0.866822D+01
      3   0.617976D+01 -0.769207D+00  0.378663D+01 -0.771471D+01 -0.146248D+02
      4  -0.199260D+01  0.683446D+01  0.221122D+01  0.110721D+02  0.144192D+02
      5   0.110439D+00  0.159070D+01 -0.160262D+00  0.799642D+01  0.165310D+02
      6  -0.595165D+01 -0.555454D+00 -0.144383D+01  0.337938D+00  0.952139D+01
                66            67            68            69            70 
      1  -0.644907D+01  0.448564D+01  0.123412D+02  0.114626D+02  0.606284D+00
      2   0.464555D+01  0.778633D+01 -0.457804D+01 -0.134259D+02  0.144186D+01
      3   0.180352D+01 -0.122720D+02 -0.776320D+01  0.196338D+01 -0.204815D+01
      4   0.141331D+02  0.164132D+02  0.210004D+02 -0.415849D+01  0.197613D+02
      5  -0.177825D+02  0.811783D+01 -0.761138D+01 -0.838413D-01 -0.160891D+02
      6  -0.103701D+02  0.585152D+01 -0.582470D+01 -0.243996D+01 -0.125955D+02
                71            72            73            74            75 
      1   0.221886D+02 -0.133220D+02 -0.128722D+02  0.204050D+02  0.176362D+02
      2  -0.182742D+02  0.957536D+01  0.185373D+01 -0.894540D+01 -0.980253D+01
      3  -0.391438D+01  0.374665D+01  0.110185D+02 -0.114596D+02 -0.783367D+01
      4  -0.249580D+01 -0.589541D+01  0.278829D+02 -0.212266D+01  0.452724D+01
      5  -0.295596D+01  0.818321D+01  0.238590D+02  0.495234D+01  0.144758D+02
      6  -0.475884D+01  0.348228D+01  0.659694D+01  0.208821D+00  0.394033D+01
                76            77            78            79            80 
      1   0.322822D+02  0.662337D+01  0.816001D+00  0.299877D+02 -0.327616D+01
      2  -0.148458D+02 -0.674473D+01  0.311965D+01 -0.128593D+02  0.566528D+01
      3  -0.174364D+02  0.121357D+00 -0.393565D+01 -0.171284D+02 -0.238912D+01
      4   0.803231D+01 -0.136101D+02  0.167578D+02 -0.284344D+01  0.117996D+02
      5   0.611843D+01  0.188794D+02 -0.116192D+02  0.899259D+01 -0.782224D+01
      6  -0.279453D+00 -0.303960D+01  0.161935D+01  0.246738D+01  0.140888D+01
                81            82            83            84            85 
      1   0.188915D+02  0.359862D+01 -0.364793D+01  0.191885D+01 -0.288607D+01
      2   0.259021D+01  0.457921D+01  0.113812D+02 -0.321950D+01  0.114934D+02
      3  -0.214818D+02 -0.817783D+01 -0.773329D+01  0.130065D+01 -0.860737D+01
      4  -0.631146D+01  0.108530D+02  0.189951D+02 -0.369061D+01  0.170429D+02
      5  -0.153574D+02 -0.237147D+01 -0.516661D+01  0.394639D+01 -0.582638D+01
      6  -0.384807D+01 -0.267202D+01 -0.783457D+01  0.369624D+01 -0.862572D+01
                86            87            88            89            90 
      1  -0.247193D+02  0.731821D+01  0.297828D+01  0.724835D+00 -0.601085D+01
      2   0.473474D+02 -0.752336D+01 -0.905449D+00  0.411057D+01  0.198862D+01
      3  -0.226281D+02  0.205150D+00 -0.207283D+01 -0.483541D+01  0.402222D+01
      4   0.327460D+02 -0.806557D+01  0.191468D+01  0.123032D+01  0.353775D+01
      5  -0.912354D+01  0.523631D+01  0.150876D+01  0.320775D+01 -0.225790D+01
      6  -0.226443D+02  0.119976D+02  0.181673D+01  0.702960D+01 -0.398799D+01
                91            92            93            94            95 
      1  -0.328161D+00 -0.260605D-01 -0.520279D+01 -0.297075D+01 -0.407029D+01
      2  -0.241293D+01  0.119802D+01 -0.357956D+01  0.243164D+01  0.198686D+01
      3   0.274109D+01 -0.117196D+01  0.878235D+01  0.539109D+00  0.208343D+01
      4  -0.891308D+00  0.217940D+01 -0.142259D+01  0.284430D+01  0.208831D+01
      5   0.202961D+01 -0.345372D+00  0.508225D+01  0.180121D+01 -0.205400D+01
      6   0.526292D+00  0.159334D+00 -0.377730D+01 -0.162843D+01 -0.954048D+00
                96            97            98            99           100 
      1  -0.450608D+01 -0.244688D+01  0.598587D+01 -0.338950D+02  0.716025D+01
      2  -0.679121D+01 -0.259967D-01 -0.216832D+01 -0.224299D+02 -0.593842D+01
      3   0.112973D+02  0.247287D+01 -0.381754D+01  0.563249D+02 -0.122183D+01
      4  -0.200228D+01 -0.158790D+01 -0.307618D+01  0.929303D+00  0.303773D+01
      5  -0.265108D+01  0.547006D+01  0.149542D+01 -0.110961D+02  0.390708D+01
      6   0.532853D+01 -0.374603D+00  0.896532D+01 -0.172780D+02 -0.167150D+00
               101           102           103           104           105 
      1   0.217571D+01  0.658487D+01  0.438972D+01 -0.259423D+01  0.296818D+01
      2  -0.107448D+01 -0.208881D+01 -0.210758D+01  0.300558D+00  0.707460D+00
      3  -0.110123D+01 -0.449605D+01 -0.228214D+01  0.229367D+01 -0.367564D+01
      4   0.591681D+00  0.508367D+00  0.337594D+01 -0.286690D+01  0.265498D+01
      5   0.131913D+01  0.346739D+01  0.669991D+00  0.254736D+01 -0.505331D+01
      6  -0.854228D+00  0.416181D+00  0.170323D+01 -0.214025D+01  0.693601D+01
               106           107           108           109           110 
      1   0.651598D+01  0.174572D+01 -0.123254D+02  0.824910D+02  0.204793D+02
      2  -0.115660D+02  0.623531D+00 -0.230747D+02 -0.404227D+02 -0.956861D+01
      3   0.505002D+01 -0.236925D+01  0.354001D+02 -0.420683D+02 -0.109107D+02
      4  -0.126564D+01  0.612990D+01 -0.296799D+01  0.243904D+02  0.155343D+02
      5   0.204689D+02 -0.370917D+01  0.490326D+02  0.721130D+01  0.267901D+01
      6  -0.203565D+01  0.582887D+01 -0.731836D+01  0.311903D+01  0.164342D+01
               111           112           113           114           115 
      1   0.248759D+01  0.339027D+02  0.120843D+02  0.130866D+01 -0.156297D+02
      2  -0.259957D+01 -0.149287D+02 -0.272253D+01 -0.168293D+01  0.635012D+01
      3   0.111983D+00 -0.189740D+02 -0.936178D+01  0.374275D+00  0.927961D+01
      4   0.182093D+01  0.186955D+02  0.115824D+02 -0.759784D+00 -0.363367D+01
      5   0.101557D+02  0.429470D+01 -0.899701D+00  0.437221D+01  0.117469D+02
      6   0.606299D+00  0.185203D+01  0.929041D+00  0.182577D+01  0.331155D+00
               116           117           118           119           120 
      1  -0.277926D+01  0.628106D+01 -0.320776D+01 -0.998494D+01  0.232546D+01
      2   0.108156D+01 -0.569630D+01  0.372616D+01  0.145238D+02 -0.270921D+01
      3   0.169770D+01 -0.584761D+00 -0.518406D+00 -0.453883D+01  0.383748D+00
      4  -0.524517D+01  0.223947D+01  0.256006D+01 -0.313813D+01  0.210859D+01
      5   0.227635D+01  0.199558D+01 -0.599445D+00  0.338871D+01  0.432204D+00
      6   0.176815D+01 -0.893075D+00 -0.147656D+01 -0.314426D+01  0.173190D+01
               121           122           123           124           125 
      1  -0.584505D+01 -0.263788D+02  0.512398D+01  0.349101D+01  0.113219D+02
      2   0.479563D+01  0.412133D+02 -0.690929D+01 -0.263931D+01 -0.133704D+02
      3   0.104942D+01 -0.148344D+02  0.178531D+01 -0.851695D+00  0.204846D+01
      4   0.426527D+01 -0.208396D+02  0.160361D+01  0.128890D+01  0.526144D+01
      5   0.213356D+01  0.301833D+01 -0.534948D+01  0.395490D+01 -0.514012D+01
      6  -0.158879D+01 -0.660427D+01  0.731581D+01 -0.927889D+00  0.952240D+01
               126           127           128           129           130 
      1  -0.430601D+01  0.175059D+02 -0.472016D+01 -0.709586D+01 -0.538557D-02
      2   0.426129D+01 -0.106596D+02  0.182341D+01  0.479875D+01 -0.169073D+01
      3   0.447142D-01 -0.684628D+01  0.289675D+01  0.229711D+01  0.169611D+01
      4  -0.415517D+01 -0.148701D+02  0.119781D+02  0.126255D+02  0.100015D+02
      5   0.198562D+01 -0.184257D+02  0.115666D+02  0.202391D+02  0.633860D+01
      6  -0.454723D+01  0.899470D+01 -0.768523D+01 -0.966252D+01 -0.615907D+01
               131           132           133           134           135 
      1  -0.227715D+01  0.816328D+00 -0.125092D+02  0.304355D+01  0.402659D+01
      2   0.587754D+01  0.150599D+01  0.893959D+01 -0.548382D+00 -0.105467D+02
      3  -0.360039D+01 -0.232232D+01  0.356961D+01 -0.249517D+01  0.652015D+01
      4  -0.137066D+02 -0.947445D+01  0.189013D+02 -0.170658D+02 -0.176449D+02
      5  -0.907348D+01 -0.678968D+01  0.249641D+02 -0.165485D+02 -0.315426D+02
      6   0.721918D+01  0.870005D+01 -0.137280D+02  0.142848D+02  0.188503D+02
               136           137           138           139           140 
      1  -0.329149D+00  0.253577D-01 -0.520812D+01  0.297229D+01 -0.407070D+01
      2  -0.241308D+01 -0.119629D+01 -0.358549D+01 -0.243003D+01  0.198511D+01
      3   0.274223D+01  0.117093D+01  0.879361D+01 -0.542259D+00  0.208559D+01
      4   0.891710D+00  0.217780D+01  0.142177D+01  0.284432D+01 -0.208669D+01
      5   0.203351D+01  0.344845D+00  0.508125D+01 -0.180107D+01 -0.205356D+01
      6  -0.526560D+00  0.160192D+00  0.377838D+01 -0.162824D+01  0.951349D+00
               141           142           143           144           145 
      1   0.451098D+01 -0.245149D+01 -0.597935D+01 -0.338936D+02  0.359899D+01
      2   0.679216D+01 -0.309488D-01  0.217004D+01 -0.224292D+02  0.457789D+01
      3  -0.113031D+02  0.248244D+01  0.380931D+01  0.563229D+02 -0.817688D+01
      4  -0.200234D+01  0.158650D+01 -0.307420D+01 -0.925607D+00 -0.108541D+02
      5   0.265029D+01  0.546702D+01 -0.149277D+01 -0.110830D+02 -0.237519D+01
      6   0.532953D+01  0.377896D+00  0.896101D+01  0.172603D+02  0.267590D+01
               146           147           148           149           150 
      1   0.364863D+01  0.191911D+01  0.288550D+01 -0.247152D+02 -0.732268D+01
      2  -0.113780D+02 -0.322044D+01 -0.114881D+02  0.473286D+02  0.752815D+01
      3   0.772940D+01  0.130133D+01  0.860255D+01 -0.226134D+02 -0.205470D+00
      4   0.189931D+02  0.369479D+01  0.170393D+02 -0.327354D+02 -0.807032D+01
      5   0.517049D+01  0.394835D+01  0.582956D+01 -0.912849D+01 -0.523944D+01
      6  -0.783834D+01 -0.369914D+01 -0.863005D+01  0.226544D+02  0.120032D+02
               151           152           153           154           155 
      1   0.297714D+01 -0.730430D+00 -0.601300D+01 -0.320270D+01  0.997385D+01
      2  -0.907427D+00 -0.410063D+01  0.198825D+01  0.371996D+01 -0.145077D+02
      3  -0.206971D+01  0.483106D+01  0.402475D+01 -0.517256D+00  0.453386D+01
      4  -0.191077D+01  0.122223D+01 -0.353831D+01 -0.255894D+01 -0.313339D+01
      5   0.150897D+01 -0.320882D+01 -0.225983D+01 -0.599311D+00 -0.338938D+01
      6  -0.181784D+01  0.703233D+01  0.399210D+01  0.147896D+01 -0.315069D+01
               156           157           158           159           160 
      1   0.233030D+01  0.583802D+01 -0.263696D+02 -0.513480D+01  0.349460D+01
      2  -0.271360D+01 -0.478553D+01  0.412010D+02  0.692294D+01 -0.264060D+01
      3   0.383298D+00 -0.105249D+01 -0.148314D+02 -0.178814D+01 -0.854008D+00
      4  -0.210900D+01  0.427005D+01  0.208479D+02  0.161294D+01 -0.128501D+01
      5   0.431316D+00 -0.213219D+01  0.302755D+01  0.535331D+01  0.395403D+01
      6  -0.173299D+01 -0.158926D+01  0.662518D+01  0.732246D+01  0.927688D+00
               161           162           163           164           165 
      1  -0.113336D+02 -0.431468D+01  0.174869D+02  0.471470D+01 -0.708771D+01
      2   0.133851D+02  0.426824D+01 -0.106464D+02 -0.181761D+01  0.478837D+01
      3  -0.205151D+01  0.464450D-01 -0.684049D+01 -0.289708D+01  0.229934D+01
      4   0.527560D+01  0.416184D+01  0.148610D+02  0.119778D+02 -0.126233D+02
      5   0.514758D+01  0.199322D+01 -0.184094D+02 -0.115651D+02  0.202258D+02
      6   0.953311D+01  0.455827D+01 -0.899050D+01 -0.768478D+01  0.965804D+01
               166           167           168           169           170 
      1   0.549581D-02 -0.228018D+01 -0.815922D+00 -0.125017D+02 -0.303929D+01
      2   0.169290D+01  0.588354D+01 -0.150680D+01  0.892897D+01  0.543561D+00
      3  -0.169840D+01 -0.360337D+01  0.232272D+01  0.357272D+01  0.249573D+01
      4   0.100051D+02  0.137168D+02 -0.947699D+01 -0.189015D+02 -0.170723D+02
      5  -0.634092D+01 -0.907571D+01  0.679509D+01  0.249535D+02  0.165546D+02
      6  -0.616104D+01 -0.722404D+01  0.870515D+01  0.137275D+02  0.142930D+02
               171           172           173           174           175 
      1   0.401456D+01  0.716727D+01 -0.218001D+01  0.658125D+01 -0.439307D+01
      2  -0.105347D+02 -0.594430D+01  0.107623D+01 -0.209487D+01  0.211000D+01
      3   0.652017D+01 -0.122297D+01  0.110379D+01 -0.448639D+01  0.228307D+01
      4   0.176494D+02 -0.303953D+01  0.595099D+00 -0.508125D+00  0.337796D+01
      5  -0.315404D+02  0.391313D+01 -0.131832D+01  0.348170D+01 -0.672328D+00
      6  -0.188576D+02  0.166191D+00 -0.852358D+00 -0.413009D+00  0.170435D+01
               176           177           178           179           180 
      1  -0.259022D+01 -0.296107D+01  0.651903D+01 -0.173911D+01 -0.123058D+02
      2   0.298185D+00 -0.705643D+00 -0.115766D+02 -0.620552D+00 -0.230873D+02
      3   0.229203D+01  0.366672D+01  0.505755D+01  0.235966D+01  0.353930D+02
      4   0.286374D+01  0.265539D+01  0.126205D+01  0.613091D+01  0.295565D+01
      5   0.254794D+01  0.504044D+01  0.204904D+02  0.369691D+01  0.490540D+02
      6   0.213474D+01  0.693226D+01  0.203233D+01  0.582584D+01  0.730012D+01
               181           182           183           184           185 
      1   0.824789D+02 -0.204839D+02  0.246311D+01 -0.339014D+02  0.120857D+02
      2  -0.404126D+02  0.956914D+01 -0.258643D+01  0.149255D+02 -0.272201D+01
      3  -0.420663D+02  0.109148D+02  0.123319D+00  0.189758D+02 -0.936369D+01
      4  -0.243977D+02  0.155373D+02 -0.181271D+01  0.186996D+02 -0.115841D+02
      5   0.717624D+01 -0.266996D+01  0.101520D+02 -0.427935D+01 -0.906951D+00
      6  -0.311335D+01  0.164120D+01 -0.605440D+00  0.184745D+01 -0.925585D+00
               186           187           188           189 
      1  -0.129931D+01 -0.156614D+02  0.278849D+01  0.628549D+01
      2   0.167867D+01  0.636663D+01 -0.108547D+01 -0.569797D+01
      3  -0.379364D+00  0.929480D+01 -0.170302D+01 -0.587520D+00
      4  -0.766413D+00  0.364514D+01 -0.525321D+01 -0.224346D+01
      5  -0.437249D+01  0.117512D+02 -0.228017D+01  0.198443D+01
      6   0.182567D+01 -0.331542D+00  0.176799D+01  0.893408D+00
 Leave Link  716 at Thu Jul  8 18:27:15 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125305D+03 -0.341271D-03  0.163608D+01
      2  -0.341271D-03  0.101005D+03  0.103518D-03
      3   0.163608D+01  0.103518D-03  0.954840D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.878336D+01 -0.321723D-03  0.170177D+01
      2  -0.175270D-02 -0.276967D+01  0.385966D-02
      3   0.278638D+02 -0.530485D-03 -0.387243D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.186503D-01 -0.283580D+02 -0.390786D-02
      2   0.592599D-02 -0.821651D+01 -0.117988D-01
      3   0.127243D-01  0.365745D+02  0.157066D-01
      4  -0.302257D+02 -0.109806D-02 -0.110500D+01
      5  -0.296226D-02  0.217600D+01  0.134531D-01
      6  -0.247339D+01 -0.137836D-01  0.187149D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    63 ND12= 1 LenFil=    2271:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.408629D+01  0.346893D+01 -0.600133D+01 -0.131082D+01 -0.374061D+01
      2   0.346893D+01 -0.483475D+01  0.107833D+01 -0.374061D+01 -0.293324D+01
      3  -0.600133D+01  0.107833D+01  0.310489D+01  0.222563D+01 -0.134284D+01
                 6             7             8             9            10 
      1   0.222563D+01 -0.228353D+01 -0.128146D+01  0.195765D+01  0.879286D-01
      2  -0.134284D+01 -0.128146D+01 -0.296152D+01  0.247183D+01  0.890018D+00
      3   0.363891D+01  0.195765D+01  0.247183D+01  0.317249D+01 -0.161609D+01
                11            12            13            14            15 
      1   0.890018D+00 -0.161609D+01  0.296580D+01 -0.101291D+01 -0.337549D+01
      2   0.291953D+00  0.564158D+00 -0.101291D+01  0.127641D+01  0.147247D+01
      3   0.564158D+00  0.831955D-01 -0.337549D+01  0.147247D+01 -0.164043D+01
                16            17            18            19            20 
      1  -0.621450D+01 -0.125704D+01  0.169587D+01 -0.137450D-02 -0.723611D+00
      2  -0.125704D+01  0.328705D+01 -0.119586D+01 -0.723611D+00  0.249619D-04
      3   0.169587D+01 -0.119586D+01 -0.884225D-01 -0.897668D-04  0.160114D+00
                21            22            23            24            25 
      1  -0.897668D-04  0.215200D+01 -0.205895D-02  0.392480D+01  0.906650D-03
      2   0.160114D+00 -0.205895D-02  0.108069D+01  0.525259D-04  0.576773D+01
      3   0.201406D-03  0.392480D+01  0.525259D-04 -0.233508D+01  0.236743D-02
                26            27            28            29            30 
      1   0.576773D+01  0.236743D-02  0.356287D+00 -0.388710D+01  0.327675D+01
      2   0.421110D-03 -0.122171D+01 -0.388710D+01 -0.274604D+00 -0.406360D+00
      3  -0.122171D+01 -0.147155D-02  0.327675D+01 -0.406360D+00  0.230357D+01
                31            32            33            34            35 
      1  -0.673378D+01  0.260320D+01 -0.161952D+00  0.487026D+01  0.156138D+01
      2   0.260320D+01  0.237571D+01  0.344490D+01  0.156138D+01  0.218582D+01
      3  -0.161952D+00  0.344490D+01  0.271393D+01  0.647472D+00  0.181851D+01
                36            37            38            39            40 
      1   0.647472D+00  0.154314D+01 -0.311619D+01  0.868388D+00 -0.246839D+01
      2   0.181851D+01 -0.311619D+01  0.333243D+01 -0.372930D+01  0.265209D+01
      3  -0.354052D+01  0.868388D+00 -0.372930D+01 -0.379454D+01 -0.117875D+01
                41            42            43            44            45 
      1   0.265209D+01 -0.117875D+01  0.294168D+01 -0.464125D+01 -0.314754D+01
      2  -0.207044D+01 -0.249920D+01 -0.464125D+01 -0.244000D+01  0.226471D-01
      3  -0.249920D+01 -0.585354D+00 -0.314754D+01  0.226471D-01  0.712633D+00
                46            47            48            49            50 
      1  -0.408542D+01  0.346604D+01  0.600094D+01 -0.131102D+01  0.374124D+01
      2   0.346604D+01  0.483405D+01  0.107981D+01  0.374124D+01 -0.293446D+01
      3   0.600094D+01  0.107981D+01 -0.310720D+01  0.222764D+01  0.133983D+01
                51            52            53            54            55 
      1   0.222764D+01  0.228171D+01 -0.128054D+01 -0.196041D+01 -0.815292D-01
      2   0.133983D+01 -0.128054D+01  0.295835D+01  0.247299D+01  0.890192D+00
      3   0.363884D+01 -0.196041D+01  0.247299D+01 -0.316855D+01  0.161661D+01
                56            57            58            59            60 
      1   0.890192D+00  0.161661D+01  0.296386D+01  0.101442D+01 -0.337468D+01
      2  -0.292655D+00  0.563777D+00  0.101442D+01  0.127944D+01 -0.147060D+01
      3   0.563777D+00 -0.830374D-01 -0.337468D+01 -0.147060D+01 -0.164040D+01
                61            62            63            64            65 
      1   0.621541D+01 -0.125685D+01 -0.169825D+01 -0.154521D+01 -0.312006D+01
      2  -0.125685D+01 -0.328547D+01 -0.119765D+01 -0.312006D+01 -0.332837D+01
      3  -0.169825D+01 -0.119765D+01  0.872337D-01 -0.867539D+00 -0.373102D+01
                66            67            68            69            70 
      1  -0.867539D+00 -0.247005D+01 -0.264867D+01 -0.118028D+01 -0.294082D+01
      2  -0.373102D+01 -0.264867D+01 -0.207276D+01  0.250019D+01 -0.464209D+01
      3   0.379124D+01 -0.118028D+01  0.250019D+01 -0.582126D+00  0.314535D+01
                71            72            73            74            75 
      1  -0.464209D+01  0.314535D+01 -0.363754D+00 -0.388598D+01 -0.327927D+01
      2   0.244118D+01  0.275176D-01 -0.388598D+01  0.275388D+00 -0.403840D+00
      3   0.275176D-01 -0.716893D+00 -0.327927D+01 -0.403840D+00 -0.230011D+01
                76            77            78            79            80 
      1  -0.673188D+01 -0.260400D+01 -0.160292D+00 -0.487304D+01  0.156330D+01
      2  -0.260400D+01  0.237894D+01 -0.344504D+01  0.156330D+01 -0.218637D+01
      3  -0.160292D+00 -0.344504D+01  0.271018D+01 -0.642534D+00  0.181543D+01
                81            82            83            84            85 
      1  -0.642534D+00  0.166527D+01  0.158578D+01 -0.198937D+00  0.311123D+01
      2   0.181543D+01  0.158578D+01  0.349633D+01 -0.929547D+00  0.322268D+01
      3   0.354511D+01 -0.198937D+00 -0.929547D+00  0.342998D+00 -0.104570D+01
                86            87            88            89            90 
      1   0.322268D+01 -0.104570D+01  0.116970D+01 -0.627725D-03  0.218103D+00
      2   0.100492D+02 -0.227907D+01 -0.627725D-03  0.559531D+00  0.118578D+01
      3  -0.227907D+01  0.182539D+01  0.218103D+00  0.118578D+01 -0.127657D+01
                91            92            93            94            95 
      1  -0.972857D+00 -0.702554D-01 -0.210853D+00 -0.106373D+01  0.610248D+00
      2  -0.702554D-01  0.243438D+00  0.499359D-01  0.610248D+00  0.498678D+00
      3  -0.210853D+00  0.499359D-01 -0.179788D+01 -0.308404D+00 -0.115644D+01
                96            97            98            99           100 
      1  -0.308404D+00 -0.172266D+01  0.709351D-01 -0.199458D+00  0.926178D+00
      2  -0.115644D+01  0.709351D-01 -0.157382D+01  0.119047D+01  0.660380D+00
      3  -0.202836D+01 -0.199458D+00  0.119047D+01 -0.106425D+02  0.731733D+00
               101           102           103           104           105 
      1   0.660380D+00  0.731733D+00  0.663437D+00  0.317720D+00  0.192826D+00
      2  -0.270209D+00  0.303875D+00  0.317720D+00 -0.597810D+00  0.572081D+00
      3   0.303875D+00 -0.510821D+00  0.192826D+00  0.572081D+00 -0.109265D+01
               106           107           108           109           110 
      1   0.262763D+01 -0.357544D+00  0.293489D+01  0.112188D+02  0.294556D+01
      2  -0.357544D+00  0.116256D+01 -0.804831D+00  0.294556D+01  0.180435D+01
      3   0.293489D+01 -0.804831D+00  0.969632D+01  0.608279D+00  0.216281D+00
               111           112           113           114           115 
      1   0.608279D+00  0.556539D+01  0.197930D+01  0.249539D+00 -0.231154D+01
      2   0.216281D+00  0.197930D+01  0.135167D+01 -0.186628D+00 -0.413118D+00
      3   0.108489D+01  0.249539D+00 -0.186628D+00  0.630259D+00  0.144741D+01
               116           117           118           119           120 
      1  -0.413118D+00  0.144741D+01 -0.113681D+01 -0.486339D+00  0.366910D-01
      2  -0.960820D+00  0.219116D+00 -0.486339D+00 -0.301047D+01  0.102866D+01
      3   0.219116D+00  0.511349D+00  0.366910D-01  0.102866D+01 -0.297448D+00
               121           122           123           124           125 
      1  -0.125359D+01 -0.324502D+00  0.417595D+00  0.768089D+00  0.775530D+00
      2  -0.324502D+00 -0.791529D+01  0.109622D+01  0.775530D+00  0.245188D+01
      3   0.417595D+00  0.109622D+01 -0.125795D+01  0.359915D+00 -0.153377D+01
               126           127           128           129           130 
      1   0.359915D+00  0.348482D+01 -0.162775D+01 -0.226504D+01 -0.550716D+00
      2  -0.153377D+01 -0.162775D+01  0.139368D+01  0.174376D+01  0.124543D+01
      3   0.891388D+00 -0.226504D+01  0.174376D+01  0.286267D+01  0.102171D+01
               131           132           133           134           135 
      1   0.124543D+01  0.102171D+01 -0.438012D+01  0.265894D+01  0.364935D+01
      2  -0.257483D+01 -0.142276D+01  0.265894D+01 -0.279739D+01 -0.276271D+01
      3  -0.142276D+01 -0.103630D+01  0.364935D+01 -0.276271D+01 -0.534437D+01
               136           137           138           139           140 
      1   0.974142D+00 -0.702198D-01  0.210965D+00 -0.106418D+01 -0.609985D+00
      2  -0.702198D-01 -0.242966D+00  0.498520D-01 -0.609985D+00  0.497926D+00
      3   0.210965D+00  0.498520D-01  0.180015D+01 -0.308923D+00  0.115684D+01
               141           142           143           144           145 
      1  -0.308923D+00  0.172242D+01  0.710261D-01  0.201701D+00 -0.166585D+01
      2   0.115684D+01  0.710261D-01  0.157336D+01  0.118866D+01  0.158576D+01
      3  -0.202929D+01  0.201701D+00  0.118866D+01  0.106408D+02  0.199550D+00
               146           147           148           149           150 
      1   0.158576D+01  0.199550D+00  0.311151D+01 -0.322221D+01 -0.104634D+01
      2  -0.349615D+01 -0.930315D+00 -0.322221D+01  0.100467D+02  0.228061D+01
      3  -0.930315D+00 -0.343434D+00 -0.104634D+01  0.228061D+01  0.182609D+01
               151           152           153           154           155 
      1  -0.116848D+01 -0.117835D-02 -0.218044D+00  0.113531D+01 -0.485329D+00
      2  -0.117835D-02 -0.557133D+00  0.118588D+01 -0.485329D+00  0.300740D+01
      3  -0.218044D+00  0.118588D+01  0.127743D+01 -0.370797D-01  0.102951D+01
               156           157           158           159           160 
      1  -0.370797D-01 -0.125307D+01  0.322458D+00  0.417660D+00 -0.769209D+00
      2   0.102951D+01  0.322458D+00 -0.791455D+01 -0.109948D+01  0.775019D+00
      3   0.297881D+00  0.417660D+00 -0.109948D+01 -0.125898D+01 -0.359725D+00
               161           162           163           164           165 
      1   0.775019D+00 -0.359725D+00 -0.348111D+01 -0.162668D+01  0.226317D+01
      2  -0.245606D+01 -0.153591D+01 -0.162668D+01 -0.139382D+01  0.174377D+01
      3  -0.153591D+01 -0.893543D+00  0.226317D+01  0.174377D+01 -0.286060D+01
               166           167           168           169           170 
      1  -0.551264D+00 -0.124620D+01  0.102222D+01  0.437892D+01  0.265943D+01
      2  -0.124620D+01 -0.257667D+01  0.142322D+01  0.265943D+01  0.279887D+01
      3   0.102222D+01  0.142322D+01 -0.103744D+01 -0.364799D+01 -0.276420D+01
               171           172           173           174           175 
      1  -0.364799D+01 -0.927586D+00  0.660693D+00 -0.732127D+00  0.664414D+00
      2  -0.276420D+01  0.660693D+00  0.269469D+00  0.303388D+00 -0.318043D+00
      3   0.534508D+01 -0.732127D+00  0.303388D+00  0.507953D+00  0.193070D+00
               176           177           178           179           180 
      1  -0.318043D+00  0.193070D+00 -0.262922D+01 -0.357101D+00 -0.293809D+01
      2  -0.597026D+00 -0.571757D+00 -0.357101D+00 -0.116234D+01 -0.802065D+00
      3  -0.571757D+00 -0.108981D+01 -0.293809D+01 -0.802065D+00 -0.969724D+01
               181           182           183           184           185 
      1  -0.112167D+02  0.294616D+01 -0.604729D+00  0.556484D+01 -0.197960D+01
      2   0.294616D+01 -0.180449D+01  0.215160D+00 -0.197960D+01  0.135171D+01
      3  -0.604729D+00  0.215160D+00 -0.108455D+01  0.248112D+00  0.187395D+00
               186           187           188           189 
      1   0.248112D+00  0.231641D+01 -0.414491D+00 -0.144802D+01
      2   0.187395D+00 -0.414491D+00  0.961896D+00  0.219845D+00
      3   0.630594D+00 -0.144802D+01  0.219845D+00 -0.509816D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.450991D+01  0.553742D+01 -0.728262D+01  0.584865D+01  0.933158D+01
      2  -0.201418D+01  0.263427D+01  0.177653D+01  0.475486D+01 -0.804815D+01
      3   0.318119D+00  0.506955D+01 -0.753366D+01  0.645464D+01 -0.287229D+01
                 6             7             8             9            10 
      1  -0.834686D+01 -0.356829D+01  0.426802D+01 -0.106492D+02 -0.249416D+00
      2   0.643014D+01 -0.510489D+01  0.230450D+01  0.700293D+01 -0.170982D+01
      3   0.385685D+01 -0.651530D+01  0.255844D+01  0.101492D+01  0.393197D+01
                11            12            13            14            15 
      1   0.131043D+01  0.304212D+01 -0.245823D+01  0.389282D+00 -0.448764D+01
      2  -0.882077D-01  0.452914D+01 -0.226198D+01  0.244968D+01 -0.630943D+01
      3  -0.865818D+01 -0.165205D+00  0.135626D+02 -0.286374D+01 -0.245363D+01
                16            17            18            19            20 
      1  -0.749742D+01  0.419835D+01  0.653597D+00  0.153112D-02 -0.266972D+01
      2  -0.952504D+01  0.181188D+01  0.376245D+00 -0.329507D+01 -0.958154D-03
      3  -0.837923D+00 -0.731330D+01  0.355773D+01 -0.212660D-03 -0.589000D+01
                21            22            23            24            25 
      1  -0.164956D-03  0.333219D+01 -0.532427D-03 -0.400117D+00 -0.140256D-02
      2   0.629912D+01 -0.124512D-03 -0.717611D+00  0.455255D-03 -0.142550D+02
      3   0.153721D-03  0.143312D+02 -0.338733D-02 -0.341576D-01  0.554803D-03
                26            27            28            29            30 
      1   0.368847D+01  0.220295D-02 -0.413544D+01  0.137702D+01  0.116458D+00
      2  -0.446038D-03  0.370857D+00  0.140962D+02  0.262400D+01  0.923818D+01
      3   0.665425D+01  0.238357D-02  0.107477D+02 -0.282670D+01  0.838469D+00
                31            32            33            34            35 
      1  -0.151068D+01  0.462717D+01  0.103613D+01  0.281394D+01  0.521800D+01
      2   0.500271D+01  0.104241D+02  0.905636D+01 -0.591258D+01  0.452447D+01
      3  -0.362166D+01 -0.983679D+01 -0.103930D+02 -0.340490D+01 -0.946606D+01
                36            37            38            39            40 
      1   0.305260D+01  0.195230D+01 -0.922578D+01 -0.452917D+01 -0.516736D+01
      2  -0.136457D+02 -0.656696D+00 -0.838534D+01 -0.668619D+01 -0.508585D+01
      3  -0.741510D+01  0.851896D+01 -0.867303D+01  0.831269D+01  0.131599D+01
                41            42            43            44            45 
      1  -0.523319D+01 -0.313684D+01 -0.674288D+01  0.640883D+01  0.109562D+01
      2  -0.406097D+01 -0.286839D+01 -0.791503D+01 -0.198052D+01 -0.617446D+00
      3  -0.579535D+00  0.106638D+02  0.968612D+01  0.147931D+02  0.730669D+01
                46            47            48            49            50 
      1  -0.451165D+01  0.553617D+01  0.728813D+01  0.584769D+01 -0.932934D+01
      2  -0.201405D+01 -0.263329D+01  0.177814D+01 -0.475472D+01 -0.804579D+01
      3  -0.318613D+00  0.506433D+01  0.753365D+01  0.645059D+01  0.287034D+01
                51            52            53            54            55 
      1  -0.835032D+01  0.357675D+01  0.426204D+01  0.106429D+02  0.249520D+00
      2  -0.643239D+01 -0.510162D+01 -0.230804D+01  0.700121D+01 -0.171059D+01
      3   0.385579D+01  0.651393D+01  0.255735D+01 -0.101753D+01 -0.393116D+01
                56            57            58            59            60 
      1   0.130970D+01 -0.304232D+01 -0.246026D+01 -0.389878D+00 -0.448670D+01
      2   0.887619D-01  0.452947D+01  0.226172D+01  0.244683D+01  0.630890D+01
      3  -0.865939D+01  0.165072D+00  0.135629D+02  0.286910D+01 -0.244911D+01
                61            62            63            64            65 
      1   0.749720D+01  0.419761D+01 -0.652004D+00 -0.194890D+01 -0.922418D+01
      2  -0.952307D+01 -0.180865D+01  0.378426D+00 -0.657203D+00  0.839114D+01
      3   0.839284D+00 -0.731101D+01 -0.356159D+01 -0.852720D+01 -0.865505D+01
                66            67            68            69            70 
      1   0.452529D+01 -0.516628D+01  0.523507D+01 -0.312997D+01  0.674114D+01
      2  -0.667933D+01  0.508888D+01 -0.406673D+01  0.286075D+01 -0.791020D+01
      3  -0.832091D+01  0.133235D+01  0.566316D+00  0.106713D+02 -0.969026D+01
                71            72            73            74            75 
      1   0.641821D+01 -0.110021D+01  0.413337D+01  0.137621D+01 -0.117534D+00
      2   0.196720D+01 -0.604587D+00  0.140989D+02 -0.263083D+01  0.922532D+01
      3   0.148003D+02 -0.729064D+01 -0.107451D+02 -0.282796D+01 -0.830747D+00
                76            77            78            79            80 
      1  -0.150968D+01 -0.462724D+01  0.103318D+01 -0.281656D+01  0.521480D+01
      2  -0.500630D+01  0.104248D+02 -0.904336D+01 -0.593050D+01 -0.451171D+01
      3  -0.362638D+01  0.984999D+01 -0.103957D+02  0.340885D+01 -0.946790D+01
                81            82            83            84            85 
      1  -0.304936D+01 -0.255096D+01 -0.393324D+01 -0.279912D+00 -0.270306D+01
      2  -0.136573D+02  0.193441D+01  0.938919D+00  0.113073D+01  0.284486D+01
      3   0.740442D+01  0.126825D+01 -0.362354D+01  0.889142D+00  0.476174D+01
                86            87            88            89            90 
      1  -0.115186D+02 -0.231294D+01 -0.437903D+00 -0.149780D+01  0.495905D+00
      2   0.178849D+01  0.154216D+01 -0.249110D+00  0.133034D+01 -0.102888D+01
      3  -0.479634D+01  0.621690D+00  0.143752D+01 -0.134699D+00 -0.721878D+00
                91            92            93            94            95 
      1   0.146469D+01 -0.481776D-01  0.331352D+01 -0.378107D+00  0.132857D+01
      2  -0.282213D+01 -0.328277D+00 -0.946617D+00 -0.201961D+01 -0.688309D+00
      3  -0.765287D+00 -0.470546D+00 -0.297966D+00 -0.460189D+00  0.341298D-01
                96            97            98            99           100 
      1   0.344094D+01  0.306691D+00  0.371536D+01  0.143210D+02  0.109611D+01
      2  -0.305354D+01 -0.648410D+01  0.120869D+01 -0.114663D+02  0.237677D+01
      3   0.360132D+00 -0.254972D+01  0.118480D+01 -0.151930D+01 -0.149945D+01
               101           102           103           104           105 
      1   0.135141D-01  0.395728D+00  0.119380D+00 -0.822569D+00 -0.802902D+00
      2   0.369705D+00 -0.158532D+01 -0.398235D+00  0.164320D+01 -0.358832D+01
      3  -0.142922D+00 -0.124078D+01 -0.359227D+00  0.159097D+01 -0.127174D+01
               106           107           108           109           110 
      1   0.190829D-02  0.436003D+01  0.140742D+01  0.351696D+01  0.185127D+01
      2   0.290564D+01 -0.204321D+01  0.275682D+02 -0.706532D+01 -0.143778D+01
      3   0.816798D+00 -0.390796D+01  0.219313D+01 -0.861395D+01 -0.899154D+01
               111           112           113           114           115 
      1  -0.707993D+00  0.235145D+01  0.122250D+01 -0.111584D+01 -0.527594D+00
      2   0.590218D+01 -0.308228D+01 -0.219118D+01  0.260951D+01  0.490545D+01
      3  -0.824366D+00 -0.331922D+01 -0.428301D+01  0.559528D+00  0.999027D+00
               116           117           118           119           120 
      1   0.361807D+00  0.736863D+00  0.964214D+00  0.297558D+01 -0.182585D+01
      2   0.125827D+01  0.462885D+00  0.666017D+00  0.146198D+01 -0.115648D+00
      3   0.276165D+01 -0.623303D+00  0.563112D+01  0.838149D+01 -0.328104D+01
               121           122           123           124           125 
      1   0.518529D+00  0.464844D+01 -0.532624D+01  0.495974D+00 -0.259057D+01
      2   0.687599D+00  0.189599D+01 -0.199592D+01 -0.139350D+00 -0.302271D+01
      3   0.610654D+01  0.213276D+02 -0.359698D+01 -0.399843D+01 -0.800080D+01
               126           127           128           129           130 
      1   0.264431D+01 -0.356842D+01  0.147672D+01  0.479959D+01  0.130638D+01
      2   0.138088D+01 -0.274931D+01  0.368969D+01  0.747499D+01  0.166929D+01
      3   0.379617D+01 -0.159122D+01 -0.237223D+01 -0.128245D+01 -0.279254D+00
               131           132           133           134           135 
      1  -0.736178D+00 -0.261503D+01  0.461826D+01 -0.103168D+01 -0.817320D+01
      2  -0.285333D+01 -0.268579D+01  0.331856D+01 -0.471753D+01 -0.106281D+02
      3   0.533814D+01  0.207881D+01  0.242774D+00  0.419695D+01  0.156809D+01
               136           137           138           139           140 
      1  -0.146571D+01 -0.462291D-01 -0.331644D+01 -0.377010D+00 -0.132998D+01
      2  -0.282573D+01  0.328319D+00 -0.948891D+00  0.202181D+01 -0.688942D+00
      3   0.766315D+00 -0.469985D+00  0.298355D+00 -0.460029D+00 -0.344809D-01
               141           142           143           144           145 
      1   0.344230D+01 -0.309979D+00  0.371814D+01 -0.143162D+02  0.255095D+01
      2   0.305502D+01 -0.648724D+01 -0.120661D+01 -0.114652D+02  0.193507D+01
      3   0.359528D+00  0.254809D+01  0.118320D+01  0.151967D+01 -0.126867D+01
               146           147           148           149           150 
      1  -0.393375D+01  0.279093D+00 -0.270245D+01  0.115170D+02 -0.230997D+01
      2  -0.938525D+00  0.113043D+01 -0.284583D+01  0.178850D+01 -0.154160D+01
      3  -0.362312D+01 -0.889476D+00  0.476144D+01  0.479321D+01  0.621718D+00
               151           152           153           154           155 
      1   0.436529D+00 -0.149398D+01 -0.496736D+00 -0.963976D+00  0.297382D+01
      2  -0.250437D+00 -0.132957D+01 -0.102972D+01  0.668636D+00 -0.146470D+01
      3  -0.143631D+01 -0.133106D+00  0.722068D+00 -0.562342D+01  0.837144D+01
               156           157           158           159           160 
      1   0.182560D+01  0.517847D+00 -0.464846D+01 -0.532861D+01 -0.496164D+00
      2  -0.117202D+00 -0.689937D+00  0.190432D+01  0.199928D+01 -0.140790D+00
      3   0.328403D+01  0.610001D+01 -0.213225D+02 -0.360588D+01  0.399996D+01
               161           162           163           164           165 
      1  -0.259422D+01 -0.264938D+01  0.356647D+01  0.147816D+01 -0.479744D+01
      2   0.302820D+01  0.138534D+01 -0.274846D+01 -0.369095D+01  0.747109D+01
      3  -0.801118D+01 -0.380265D+01  0.158920D+01 -0.237339D+01  0.128539D+01
               166           167           168           169           170 
      1   0.130746D+01  0.737123D+00 -0.261777D+01 -0.461795D+01 -0.103486D+01
      2  -0.166960D+01 -0.285406D+01  0.268812D+01  0.331730D+01  0.472125D+01
      3  -0.279814D+00 -0.534142D+01  0.207882D+01 -0.240963D+00  0.419863D+01
               171           172           173           174           175 
      1   0.817628D+01 -0.109581D+01  0.153837D-01 -0.396118D+00  0.119446D+00
      2  -0.106312D+02  0.237543D+01 -0.368320D+00 -0.157623D+01  0.398783D+00
      3  -0.157271D+01  0.150102D+01 -0.145504D+00  0.123927D+01 -0.360069D+00
               176           177           178           179           180 
      1   0.821186D+00 -0.801966D+00 -0.203942D-02  0.436020D+01 -0.140482D+01
      2   0.164185D+01  0.357992D+01  0.291568D+01  0.203569D+01  0.275714D+02
      3  -0.158904D+01 -0.127057D+01 -0.817485D+00 -0.390860D+01 -0.218555D+01
               181           182           183           184           185 
      1  -0.351574D+01  0.184968D+01  0.710036D+00  0.235110D+01 -0.122200D+01
      2  -0.706990D+01  0.144045D+01  0.590409D+01  0.308396D+01 -0.219264D+01
      3   0.861183D+01 -0.899157D+01  0.820320D+00 -0.331834D+01  0.428252D+01
               186           187           188           189 
      1  -0.111682D+01  0.529637D+00  0.361091D+00 -0.737545D+00
      2  -0.261188D+01  0.491043D+01 -0.126135D+01  0.457222D+00
      3   0.561679D+00 -0.100162D+01  0.276592D+01  0.624982D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.840706D+01  0.159199D+02 -0.596238D+01  0.675704D+01 -0.217290D+01
      2  -0.209666D+01 -0.198776D+02  0.138051D+02 -0.115181D+02 -0.171171D+02
      3   0.105037D+02  0.395769D+01 -0.784277D+01  0.476106D+01  0.192900D+02
      4   0.680164D+01 -0.568846D+01 -0.424682D+01 -0.959331D+01 -0.186194D+02
      5  -0.165984D+02 -0.270026D+01  0.143006D+02  0.197785D+01  0.318548D+01
      6  -0.173195D+02  0.894577D+01  0.272701D+01  0.102924D+02  0.508645D+00
                 6             7             8             9            10 
      1   0.100612D+02  0.747637D+00  0.628044D+01  0.116542D+02  0.281720D+01
      2   0.844651D+00  0.443098D+01 -0.315284D+01  0.134301D+02 -0.405594D+01
      3  -0.109058D+02 -0.517861D+01 -0.312760D+01 -0.250843D+02  0.123874D+01
      4   0.116430D+01 -0.722177D+01 -0.400558D+01  0.835024D+01  0.532249D+01
      5   0.402624D+01  0.109219D+02  0.613163D+01 -0.269131D+01 -0.159393D+02
      6   0.720948D+01  0.551258D+01  0.760912D+01 -0.405904D+01  0.291657D+01
                11            12            13            14            15 
      1  -0.683048D+00 -0.600349D+01 -0.839361D+00 -0.154130D+01 -0.620743D+01
      2   0.417955D+01  0.254264D+01  0.449978D+01 -0.666960D+00  0.206042D+01
      3  -0.349651D+01  0.346084D+01 -0.366042D+01  0.220826D+01  0.414702D+01
      4  -0.135038D+01  0.499278D+01 -0.716001D+01  0.999277D+01  0.288466D+01
      5   0.686136D+01 -0.361868D+00 -0.114968D+01  0.783862D+00 -0.272249D+01
      6  -0.345988D+01  0.293021D+01 -0.497895D+01  0.285565D+01  0.560175D-01
                16            17            18            19            20 
      1  -0.124576D+02 -0.340266D+01 -0.480361D+00 -0.911131D+01 -0.189632D-02
      2   0.627981D+01  0.263256D+01 -0.331002D+01  0.106138D+02 -0.103718D-02
      3   0.617781D+01  0.770103D+00  0.379038D+01 -0.150246D+01  0.293350D-02
      4   0.199251D+01  0.683820D+01 -0.220366D+01 -0.462449D-02 -0.181073D+01
      5   0.997791D-01 -0.158337D+01 -0.166086D+00  0.195308D+02  0.191212D-02
      6   0.595404D+01 -0.557016D+00  0.144322D+01  0.398141D-02  0.501153D+01
                21            22            23            24            25 
      1   0.173593D+01 -0.183533D-02 -0.195241D+01  0.316518D-02 -0.361682D+01
      2  -0.466625D+01 -0.209027D-02  0.491640D+01 -0.223000D-02  0.229971D-01
      3   0.293032D+01  0.392560D-02 -0.296400D+01 -0.935180D-03  0.359382D+01
      4   0.270565D-02 -0.254603D+01  0.220852D-02  0.427356D+00  0.633595D-02
      5  -0.124244D+02  0.769373D-02  0.693750D+00  0.922620D-03 -0.188151D+02
      6   0.722109D-04  0.876590D+01  0.142317D-04 -0.163392D+01  0.115010D-02
                26            27            28            29            30 
      1   0.138568D-04 -0.469320D+01 -0.129123D+02 -0.204064D+02  0.176099D+02
      2   0.978872D-03  0.277634D+01  0.187559D+01  0.894829D+01 -0.979485D+01
      3  -0.992729D-03  0.191686D+01  0.110368D+02  0.114581D+02 -0.781503D+01
      4   0.125837D+01 -0.702657D-03 -0.278869D+02 -0.211694D+01 -0.454219D+01
      5  -0.923496D-03  0.542311D+01  0.238294D+02 -0.496860D+01  0.144914D+02
      6  -0.122276D+01 -0.156670D-02 -0.660448D+01  0.210183D+00 -0.394659D+01
                31            32            33            34            35 
      1  -0.322881D+02  0.662125D+01 -0.832537D+00  0.299581D+02  0.325872D+01
      2   0.148516D+02 -0.674513D+01 -0.311719D+01 -0.128528D+02 -0.566346D+01
      3   0.174365D+02  0.123882D+00  0.394973D+01 -0.171054D+02  0.240473D+01
      4   0.803361D+01  0.135927D+02  0.167573D+02  0.282888D+01  0.117982D+02
      5  -0.613843D+01  0.188788D+02  0.116322D+02  0.902250D+01  0.783368D+01
      6  -0.279022D+00  0.303589D+01  0.161702D+01 -0.247163D+01  0.140689D+01
                36            37            38            39            40 
      1   0.189190D+02 -0.628914D+00 -0.593123D+01 -0.644215D+01 -0.446864D+01
      2   0.256986D+01  0.833461D+01 -0.869453D+01  0.463121D+01 -0.780496D+01
      3  -0.214888D+02 -0.770570D+01  0.146258D+02  0.181094D+01  0.122736D+02
      4   0.632299D+01 -0.110562D+02  0.144247D+02 -0.141276D+02  0.164210D+02
      5  -0.153226D+02  0.800707D+01 -0.165252D+02 -0.177977D+02 -0.811309D+01
      6   0.385565D+01 -0.340307D+00  0.951301D+01  0.103769D+02  0.584452D+01
                41            42            43            44            45 
      1   0.123536D+02 -0.114528D+02  0.614184D+00 -0.221825D+02 -0.133478D+02
      2  -0.459088D+01  0.134169D+02  0.143045D+01  0.182655D+02  0.959512D+01
      3  -0.776274D+01 -0.196413D+01 -0.204464D+01  0.391694D+01  0.375266D+01
      4  -0.210029D+02 -0.416012D+01 -0.197601D+02 -0.249535D+01  0.588068D+01
      5  -0.761164D+01  0.723297D-01 -0.161011D+02  0.293807D+01  0.816918D+01
      6   0.581802D+01 -0.242610D+01  0.125991D+02 -0.474165D+01 -0.347295D+01
                46            47            48            49            50 
      1  -0.840857D+01 -0.159144D+02 -0.595603D+01 -0.676017D+01 -0.216775D+01
      2  -0.210454D+01  0.198702D+02  0.138136D+02  0.115129D+02 -0.171143D+02
      3   0.105131D+02 -0.395572D+01 -0.785761D+01 -0.475275D+01  0.192820D+02
      4  -0.678748D+01 -0.569072D+01  0.424008D+01 -0.959513D+01  0.186180D+02
      5  -0.165955D+02  0.269310D+01  0.143025D+02 -0.198917D+01  0.319443D+01
      6   0.173110D+02  0.894980D+01 -0.272452D+01  0.102987D+02 -0.523219D+00
                51            52            53            54            55 
      1  -0.100616D+02  0.757169D+00 -0.627980D+01  0.116517D+02  0.279809D+01
      2  -0.851805D+00  0.443903D+01  0.314016D+01  0.134218D+02 -0.404658D+01
      3   0.109134D+02 -0.519620D+01  0.313964D+01 -0.250735D+02  0.124849D+01
      4   0.117410D+01  0.721474D+01 -0.399565D+01 -0.835192D+01 -0.532658D+01
      5  -0.402079D+01  0.109245D+02 -0.613093D+01 -0.270738D+01 -0.159439D+02
      6   0.720246D+01 -0.551355D+01  0.760321D+01  0.407218D+01 -0.291710D+01
                56            57            58            59            60 
      1   0.680468D+00 -0.600351D+01  0.841376D+00 -0.154596D+01  0.620489D+01
      2  -0.417643D+01  0.254506D+01 -0.449868D+01 -0.663881D+00 -0.206048D+01
      3   0.349596D+01  0.345845D+01  0.365730D+01  0.220984D+01 -0.414441D+01
      4  -0.134758D+01 -0.499278D+01 -0.716225D+01 -0.999980D+01  0.288039D+01
      5  -0.685956D+01 -0.363328D+00  0.115316D+01  0.781565D+00  0.272246D+01
      6  -0.346031D+01 -0.292998D+01 -0.497596D+01 -0.285196D+01  0.576768D-01
                61            62            63            64            65 
      1  -0.124630D+02  0.340392D+01 -0.472341D+00 -0.621338D+00  0.595658D+01
      2   0.628324D+01 -0.263472D+01 -0.331429D+01  0.833605D+01  0.866822D+01
      3   0.617976D+01 -0.769207D+00  0.378663D+01 -0.771471D+01 -0.146248D+02
      4  -0.199260D+01  0.683446D+01  0.221122D+01  0.110721D+02  0.144192D+02
      5   0.110439D+00  0.159070D+01 -0.160262D+00  0.799642D+01  0.165310D+02
      6  -0.595165D+01 -0.555454D+00 -0.144383D+01  0.337938D+00  0.952139D+01
                66            67            68            69            70 
      1  -0.644907D+01  0.448564D+01  0.123412D+02  0.114626D+02  0.606284D+00
      2   0.464555D+01  0.778633D+01 -0.457804D+01 -0.134259D+02  0.144186D+01
      3   0.180352D+01 -0.122720D+02 -0.776320D+01  0.196338D+01 -0.204815D+01
      4   0.141331D+02  0.164132D+02  0.210004D+02 -0.415849D+01  0.197613D+02
      5  -0.177825D+02  0.811783D+01 -0.761138D+01 -0.838413D-01 -0.160891D+02
      6  -0.103701D+02  0.585152D+01 -0.582470D+01 -0.243996D+01 -0.125955D+02
                71            72            73            74            75 
      1   0.221886D+02 -0.133220D+02 -0.128722D+02  0.204050D+02  0.176362D+02
      2  -0.182742D+02  0.957536D+01  0.185373D+01 -0.894540D+01 -0.980253D+01
      3  -0.391438D+01  0.374665D+01  0.110185D+02 -0.114596D+02 -0.783367D+01
      4  -0.249580D+01 -0.589541D+01  0.278829D+02 -0.212266D+01  0.452724D+01
      5  -0.295596D+01  0.818321D+01  0.238590D+02  0.495234D+01  0.144758D+02
      6  -0.475884D+01  0.348228D+01  0.659694D+01  0.208821D+00  0.394033D+01
                76            77            78            79            80 
      1   0.322822D+02  0.662337D+01  0.816001D+00  0.299877D+02 -0.327616D+01
      2  -0.148458D+02 -0.674473D+01  0.311965D+01 -0.128593D+02  0.566528D+01
      3  -0.174364D+02  0.121357D+00 -0.393565D+01 -0.171284D+02 -0.238912D+01
      4   0.803231D+01 -0.136101D+02  0.167578D+02 -0.284344D+01  0.117996D+02
      5   0.611843D+01  0.188794D+02 -0.116192D+02  0.899259D+01 -0.782224D+01
      6  -0.279453D+00 -0.303960D+01  0.161935D+01  0.246738D+01  0.140888D+01
                81            82            83            84            85 
      1   0.188915D+02  0.359862D+01 -0.364793D+01  0.191885D+01 -0.288607D+01
      2   0.259021D+01  0.457921D+01  0.113812D+02 -0.321950D+01  0.114934D+02
      3  -0.214818D+02 -0.817783D+01 -0.773329D+01  0.130065D+01 -0.860737D+01
      4  -0.631146D+01  0.108530D+02  0.189951D+02 -0.369061D+01  0.170429D+02
      5  -0.153574D+02 -0.237147D+01 -0.516661D+01  0.394639D+01 -0.582638D+01
      6  -0.384807D+01 -0.267202D+01 -0.783457D+01  0.369624D+01 -0.862572D+01
                86            87            88            89            90 
      1  -0.247193D+02  0.731821D+01  0.297828D+01  0.724835D+00 -0.601085D+01
      2   0.473474D+02 -0.752336D+01 -0.905449D+00  0.411057D+01  0.198862D+01
      3  -0.226281D+02  0.205150D+00 -0.207283D+01 -0.483541D+01  0.402222D+01
      4   0.327460D+02 -0.806557D+01  0.191468D+01  0.123032D+01  0.353775D+01
      5  -0.912354D+01  0.523631D+01  0.150876D+01  0.320775D+01 -0.225790D+01
      6  -0.226443D+02  0.119976D+02  0.181673D+01  0.702960D+01 -0.398799D+01
                91            92            93            94            95 
      1  -0.328161D+00 -0.260605D-01 -0.520279D+01 -0.297075D+01 -0.407029D+01
      2  -0.241293D+01  0.119802D+01 -0.357956D+01  0.243164D+01  0.198686D+01
      3   0.274109D+01 -0.117196D+01  0.878235D+01  0.539109D+00  0.208343D+01
      4  -0.891308D+00  0.217940D+01 -0.142259D+01  0.284430D+01  0.208831D+01
      5   0.202961D+01 -0.345372D+00  0.508225D+01  0.180121D+01 -0.205400D+01
      6   0.526292D+00  0.159334D+00 -0.377730D+01 -0.162843D+01 -0.954048D+00
                96            97            98            99           100 
      1  -0.450608D+01 -0.244688D+01  0.598587D+01 -0.338950D+02  0.716025D+01
      2  -0.679121D+01 -0.259967D-01 -0.216832D+01 -0.224299D+02 -0.593842D+01
      3   0.112973D+02  0.247287D+01 -0.381754D+01  0.563249D+02 -0.122183D+01
      4  -0.200228D+01 -0.158790D+01 -0.307618D+01  0.929303D+00  0.303773D+01
      5  -0.265108D+01  0.547006D+01  0.149542D+01 -0.110961D+02  0.390708D+01
      6   0.532853D+01 -0.374603D+00  0.896532D+01 -0.172780D+02 -0.167150D+00
               101           102           103           104           105 
      1   0.217571D+01  0.658487D+01  0.438972D+01 -0.259423D+01  0.296818D+01
      2  -0.107448D+01 -0.208881D+01 -0.210758D+01  0.300558D+00  0.707460D+00
      3  -0.110123D+01 -0.449605D+01 -0.228214D+01  0.229367D+01 -0.367564D+01
      4   0.591681D+00  0.508367D+00  0.337594D+01 -0.286690D+01  0.265498D+01
      5   0.131913D+01  0.346739D+01  0.669991D+00  0.254736D+01 -0.505331D+01
      6  -0.854228D+00  0.416181D+00  0.170323D+01 -0.214025D+01  0.693601D+01
               106           107           108           109           110 
      1   0.651598D+01  0.174572D+01 -0.123254D+02  0.824910D+02  0.204793D+02
      2  -0.115660D+02  0.623531D+00 -0.230747D+02 -0.404227D+02 -0.956861D+01
      3   0.505002D+01 -0.236925D+01  0.354001D+02 -0.420683D+02 -0.109107D+02
      4  -0.126564D+01  0.612990D+01 -0.296799D+01  0.243904D+02  0.155343D+02
      5   0.204689D+02 -0.370917D+01  0.490326D+02  0.721130D+01  0.267901D+01
      6  -0.203565D+01  0.582887D+01 -0.731836D+01  0.311903D+01  0.164342D+01
               111           112           113           114           115 
      1   0.248759D+01  0.339027D+02  0.120843D+02  0.130866D+01 -0.156297D+02
      2  -0.259957D+01 -0.149287D+02 -0.272253D+01 -0.168293D+01  0.635012D+01
      3   0.111983D+00 -0.189740D+02 -0.936178D+01  0.374275D+00  0.927961D+01
      4   0.182093D+01  0.186955D+02  0.115824D+02 -0.759784D+00 -0.363367D+01
      5   0.101557D+02  0.429470D+01 -0.899701D+00  0.437221D+01  0.117469D+02
      6   0.606299D+00  0.185203D+01  0.929041D+00  0.182577D+01  0.331155D+00
               116           117           118           119           120 
      1  -0.277926D+01  0.628106D+01 -0.320776D+01 -0.998494D+01  0.232546D+01
      2   0.108156D+01 -0.569630D+01  0.372616D+01  0.145238D+02 -0.270921D+01
      3   0.169770D+01 -0.584761D+00 -0.518406D+00 -0.453883D+01  0.383748D+00
      4  -0.524517D+01  0.223947D+01  0.256006D+01 -0.313813D+01  0.210859D+01
      5   0.227635D+01  0.199558D+01 -0.599445D+00  0.338871D+01  0.432204D+00
      6   0.176815D+01 -0.893075D+00 -0.147656D+01 -0.314426D+01  0.173190D+01
               121           122           123           124           125 
      1  -0.584505D+01 -0.263788D+02  0.512398D+01  0.349101D+01  0.113219D+02
      2   0.479563D+01  0.412133D+02 -0.690929D+01 -0.263931D+01 -0.133704D+02
      3   0.104942D+01 -0.148344D+02  0.178531D+01 -0.851695D+00  0.204846D+01
      4   0.426527D+01 -0.208396D+02  0.160361D+01  0.128890D+01  0.526144D+01
      5   0.213356D+01  0.301833D+01 -0.534948D+01  0.395490D+01 -0.514012D+01
      6  -0.158879D+01 -0.660427D+01  0.731581D+01 -0.927889D+00  0.952240D+01
               126           127           128           129           130 
      1  -0.430601D+01  0.175059D+02 -0.472016D+01 -0.709586D+01 -0.538557D-02
      2   0.426129D+01 -0.106596D+02  0.182341D+01  0.479875D+01 -0.169073D+01
      3   0.447142D-01 -0.684628D+01  0.289675D+01  0.229711D+01  0.169611D+01
      4  -0.415517D+01 -0.148701D+02  0.119781D+02  0.126255D+02  0.100015D+02
      5   0.198562D+01 -0.184257D+02  0.115666D+02  0.202391D+02  0.633860D+01
      6  -0.454723D+01  0.899470D+01 -0.768523D+01 -0.966252D+01 -0.615907D+01
               131           132           133           134           135 
      1  -0.227715D+01  0.816328D+00 -0.125092D+02  0.304355D+01  0.402659D+01
      2   0.587754D+01  0.150599D+01  0.893959D+01 -0.548382D+00 -0.105467D+02
      3  -0.360039D+01 -0.232232D+01  0.356961D+01 -0.249517D+01  0.652015D+01
      4  -0.137066D+02 -0.947445D+01  0.189013D+02 -0.170658D+02 -0.176449D+02
      5  -0.907348D+01 -0.678968D+01  0.249641D+02 -0.165485D+02 -0.315426D+02
      6   0.721918D+01  0.870005D+01 -0.137280D+02  0.142848D+02  0.188503D+02
               136           137           138           139           140 
      1  -0.329149D+00  0.253577D-01 -0.520812D+01  0.297229D+01 -0.407070D+01
      2  -0.241308D+01 -0.119629D+01 -0.358549D+01 -0.243003D+01  0.198511D+01
      3   0.274223D+01  0.117093D+01  0.879361D+01 -0.542259D+00  0.208559D+01
      4   0.891710D+00  0.217780D+01  0.142177D+01  0.284432D+01 -0.208669D+01
      5   0.203351D+01  0.344845D+00  0.508125D+01 -0.180107D+01 -0.205356D+01
      6  -0.526560D+00  0.160192D+00  0.377838D+01 -0.162824D+01  0.951349D+00
               141           142           143           144           145 
      1   0.451098D+01 -0.245149D+01 -0.597935D+01 -0.338936D+02  0.359899D+01
      2   0.679216D+01 -0.309488D-01  0.217004D+01 -0.224292D+02  0.457789D+01
      3  -0.113031D+02  0.248244D+01  0.380931D+01  0.563229D+02 -0.817688D+01
      4  -0.200234D+01  0.158650D+01 -0.307420D+01 -0.925607D+00 -0.108541D+02
      5   0.265029D+01  0.546702D+01 -0.149277D+01 -0.110830D+02 -0.237519D+01
      6   0.532953D+01  0.377896D+00  0.896101D+01  0.172603D+02  0.267590D+01
               146           147           148           149           150 
      1   0.364863D+01  0.191911D+01  0.288550D+01 -0.247152D+02 -0.732268D+01
      2  -0.113780D+02 -0.322044D+01 -0.114881D+02  0.473286D+02  0.752815D+01
      3   0.772940D+01  0.130133D+01  0.860255D+01 -0.226134D+02 -0.205470D+00
      4   0.189931D+02  0.369479D+01  0.170393D+02 -0.327354D+02 -0.807032D+01
      5   0.517049D+01  0.394835D+01  0.582956D+01 -0.912849D+01 -0.523944D+01
      6  -0.783834D+01 -0.369914D+01 -0.863005D+01  0.226544D+02  0.120032D+02
               151           152           153           154           155 
      1   0.297714D+01 -0.730430D+00 -0.601300D+01 -0.320270D+01  0.997385D+01
      2  -0.907427D+00 -0.410063D+01  0.198825D+01  0.371996D+01 -0.145077D+02
      3  -0.206971D+01  0.483106D+01  0.402475D+01 -0.517256D+00  0.453386D+01
      4  -0.191077D+01  0.122223D+01 -0.353831D+01 -0.255894D+01 -0.313339D+01
      5   0.150897D+01 -0.320882D+01 -0.225983D+01 -0.599311D+00 -0.338938D+01
      6  -0.181784D+01  0.703233D+01  0.399210D+01  0.147896D+01 -0.315069D+01
               156           157           158           159           160 
      1   0.233030D+01  0.583802D+01 -0.263696D+02 -0.513480D+01  0.349460D+01
      2  -0.271360D+01 -0.478553D+01  0.412010D+02  0.692294D+01 -0.264060D+01
      3   0.383298D+00 -0.105249D+01 -0.148314D+02 -0.178814D+01 -0.854008D+00
      4  -0.210900D+01  0.427005D+01  0.208479D+02  0.161294D+01 -0.128501D+01
      5   0.431316D+00 -0.213219D+01  0.302755D+01  0.535331D+01  0.395403D+01
      6  -0.173299D+01 -0.158926D+01  0.662518D+01  0.732246D+01  0.927688D+00
               161           162           163           164           165 
      1  -0.113336D+02 -0.431468D+01  0.174869D+02  0.471470D+01 -0.708771D+01
      2   0.133851D+02  0.426824D+01 -0.106464D+02 -0.181761D+01  0.478837D+01
      3  -0.205151D+01  0.464450D-01 -0.684049D+01 -0.289708D+01  0.229934D+01
      4   0.527560D+01  0.416184D+01  0.148610D+02  0.119778D+02 -0.126233D+02
      5   0.514758D+01  0.199322D+01 -0.184094D+02 -0.115651D+02  0.202258D+02
      6   0.953311D+01  0.455827D+01 -0.899050D+01 -0.768478D+01  0.965804D+01
               166           167           168           169           170 
      1   0.549581D-02 -0.228018D+01 -0.815922D+00 -0.125017D+02 -0.303929D+01
      2   0.169290D+01  0.588354D+01 -0.150680D+01  0.892897D+01  0.543561D+00
      3  -0.169840D+01 -0.360337D+01  0.232272D+01  0.357272D+01  0.249573D+01
      4   0.100051D+02  0.137168D+02 -0.947699D+01 -0.189015D+02 -0.170723D+02
      5  -0.634092D+01 -0.907571D+01  0.679509D+01  0.249535D+02  0.165546D+02
      6  -0.616104D+01 -0.722404D+01  0.870515D+01  0.137275D+02  0.142930D+02
               171           172           173           174           175 
      1   0.401456D+01  0.716727D+01 -0.218001D+01  0.658125D+01 -0.439307D+01
      2  -0.105347D+02 -0.594430D+01  0.107623D+01 -0.209487D+01  0.211000D+01
      3   0.652017D+01 -0.122297D+01  0.110379D+01 -0.448639D+01  0.228307D+01
      4   0.176494D+02 -0.303953D+01  0.595099D+00 -0.508125D+00  0.337796D+01
      5  -0.315404D+02  0.391313D+01 -0.131832D+01  0.348170D+01 -0.672328D+00
      6  -0.188576D+02  0.166191D+00 -0.852358D+00 -0.413009D+00  0.170435D+01
               176           177           178           179           180 
      1  -0.259022D+01 -0.296107D+01  0.651903D+01 -0.173911D+01 -0.123058D+02
      2   0.298185D+00 -0.705643D+00 -0.115766D+02 -0.620552D+00 -0.230873D+02
      3   0.229203D+01  0.366672D+01  0.505755D+01  0.235966D+01  0.353930D+02
      4   0.286374D+01  0.265539D+01  0.126205D+01  0.613091D+01  0.295565D+01
      5   0.254794D+01  0.504044D+01  0.204904D+02  0.369691D+01  0.490540D+02
      6   0.213474D+01  0.693226D+01  0.203233D+01  0.582584D+01  0.730012D+01
               181           182           183           184           185 
      1   0.824789D+02 -0.204839D+02  0.246311D+01 -0.339014D+02  0.120857D+02
      2  -0.404126D+02  0.956914D+01 -0.258643D+01  0.149255D+02 -0.272201D+01
      3  -0.420663D+02  0.109148D+02  0.123319D+00  0.189758D+02 -0.936369D+01
      4  -0.243977D+02  0.155373D+02 -0.181271D+01  0.186996D+02 -0.115841D+02
      5   0.717624D+01 -0.266996D+01  0.101520D+02 -0.427935D+01 -0.906951D+00
      6  -0.311335D+01  0.164120D+01 -0.605440D+00  0.184745D+01 -0.925585D+00
               186           187           188           189 
      1  -0.129931D+01 -0.156614D+02  0.278849D+01  0.628549D+01
      2   0.167867D+01  0.636663D+01 -0.108547D+01 -0.569797D+01
      3  -0.379364D+00  0.929480D+01 -0.170302D+01 -0.587520D+00
      4  -0.766413D+00  0.364514D+01 -0.525321D+01 -0.224346D+01
      5  -0.437249D+01  0.117512D+02 -0.228017D+01  0.198443D+01
      6   0.182567D+01 -0.331542D+00  0.176799D+01  0.893408D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x         -0.225010D-04     -0.571917D-04     -0.190771D-03
   y          0.653948D-03      0.166217D-02      0.554440D-02
   z         -0.157066D-04     -0.399221D-04     -0.133166D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116206D+03      0.172199D+02      0.191597D+02
   yx        -0.255793D-03     -0.379047D-04     -0.421746D-04
   yy         0.947191D+02      0.140359D+02      0.156171D+02
   zx         0.121317D+01      0.179773D+00      0.200024D+00
   zy         0.246040D-03      0.364594D-04      0.405665D-04
   zz         0.901064D+02      0.133524D+02      0.148565D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.107265D+03      0.158950D+02      0.176855D+02
   aniso      0.276257D+02      0.409370D+01      0.455485D+01
   xx         0.125305D+03      0.185683D+02      0.206600D+02
   yx        -0.341271D-03     -0.505712D-04     -0.562680D-04
   yy         0.101005D+03      0.149674D+02      0.166534D+02
   zx         0.163608D+01      0.242441D+00      0.269753D+00
   zy         0.103518D-03      0.153398D-04      0.170679D-04
   zz         0.954840D+02      0.141493D+02      0.157432D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.60971765          2.09535044          2.13384642
     6          2.54110098          0.40976533          0.06114975
     6          0.03923479         -0.02527079          1.11222308
     6          4.83707838         -1.07291822         -0.50382410
     6          3.69407583          0.70445291         -2.46629316
     6         -1.45867472         -2.19322439          2.14345246
     6         -2.53102170         -0.41606101          0.22084574
     6         -3.85956152         -0.59666367         -2.23003253
     6         -4.85921930          1.08648272         -0.11242284
     1          2.43261392          1.87711849          3.99773469
     1          1.06346297          4.01098995          1.65049683
     1          4.63986261         -3.08642098         -0.81564957
     1          6.60238006         -0.51354862          0.36734977
     1          2.74471509         -0.13929110         -4.07072456
     1          4.70819114          2.43208515         -2.88493331
     1         -0.95039067         -4.08375492          1.53580510
     1         -2.14824446         -2.06196589          4.06858086
     1         -3.02473668          0.32183639         -3.85689492
     1         -4.90276150         -2.30530289         -2.65510009
     1         -4.68200186          3.11256216         -0.34461179
     1         -6.55948409          0.48421184          0.85428220

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654523D-03      0.166363D-02      0.554928D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654523D-03      0.166363D-02      0.554928D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.100344D+03      0.148694D+02      0.165444D+02
   aniso      0.242171D+02      0.358861D+01      0.399287D+01
   xx         0.116231D+03      0.172237D+02      0.191640D+02
   yx        -0.295500D+00     -0.437885D-01     -0.487213D-01
   yy         0.900558D+02      0.133449D+02      0.148482D+02
   zx        -0.764710D+00     -0.113318D+00     -0.126084D+00
   zy        -0.961984D-01     -0.142551D-01     -0.158610D-01
   zz         0.947438D+02      0.140396D+02      0.156211D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.107265D+03      0.158950D+02      0.176855D+02
   aniso      0.276257D+02      0.409370D+01      0.455485D+01
   xx         0.125352D+03      0.185753D+02      0.206678D+02
   yx        -0.586909D+00     -0.869710D-01     -0.967683D-01
   yy         0.954087D+02      0.141381D+02      0.157308D+02
   zx        -0.871309D+00     -0.129115D+00     -0.143659D+00
   zy        -0.107066D+00     -0.158655D-01     -0.176528D-01
   zz         0.101033D+03      0.149715D+02      0.166581D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-26\Freq\RB3LYP\Gen\C9H12\PIERPA\08-Jul-2021\0\\#P B3L
 YP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,Ma
 xCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculation
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 .243659,-0.273932\C,-0.8508,1.13255,1.105829\C,-1.349503,0.074646,0.17
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 63e-09\RMSF=3.867e-06\ZeroPoint=0.1816545\Thermal=0.1902387\Dipole=-0.
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 982374,0.0410912,-0.1159148,-0.0072472,-0.043081,-0.181395,-0.0811632,
 -0.2002701,0.0218608,-0.074769,-0.1110858,-0.0479392,0.1273633,0.10091
 66,-0.0073241,-0.0295144,-0.0177519,-0.0920952,0.0706065,0.0169918,0.0
 676769,0.0634634,-0.0031646,0.0186208,-0.097179,0.069983,0.0559411,0.0
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 588,-0.0051393,-0.0403938,-0.0120063,0.0050125,-0.0418643,-0.0041315,0
 .0302958,-0.1234591,0.0114822,-0.0146372,0.029009,-0.0197599,0.0502639
 ,0.014069,-0.0572638,0.0117847,-0.1164037,-0.11817,-0.0565467,-0.01683
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 0.0188263,0.0822097,-0.0756158,-0.0500374,0.0281398,0.0051444,-0.04046
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 0084225,0.0176818,-0.0262478,0.0165807\Polar=116.2055002,-0.0002558,94
 .7190803,1.2131655,0.000246,90.1063663\Quadrupole=-0.5445672,-0.177655
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 ALL MY ATTEMPTS TO ADAPT THE THEORETICAL FOUNDATIONS OF PHYSICS
 TO THESE NEW NOTIONS FAILED COMPLETELY. IT WAS AS IF THE GROUND HAD
 BEEN PULLED OUT FROM UNDER ONE WITH NO FIRM FOUNDATION TO BE SEEN ANYWHERE,
 UPON WHICH ONE COULD HAVE BUILT.  -- A.EINSTEIN
 Job cpu time:       0 days  4 hours 39 minutes 46.6 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 31.6 seconds.
 File lengths (MBytes):  RWF=    267 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:27:15 2021.
